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29617-66-1 Usage

Chemical Properties

Colourless Oil

Uses

Through the stereo displacement of (S)-(-)-2-Chloropropionic acid PPAR Agonist can be synthesized via asymmetric hydrogenation of a cinnamic acid derivative.

Definition

ChEBI: A monocarboxylic acid that is propanoic acid substitued at position 2 by a chloro group (the S-enantiomer).

Flammability and Explosibility

Nonflammable

Purification Methods

Purify the acid by fractionating twice through a 115cm Podbielniak column (p 11, calculated 50 theoretical plates at atmospheric pressure) using a take-off ratio of 1:5. The acid chloride is prepared by dissolving the acid in SOCl2, adding a few drops of PCl3, refluxing and then distilling through a 30cm column, b 53o/100mm, [] -4.6o (neat), d 1.2689, n1.4368. [Fu et al. J Am Chem Soc 76 6954 1954, Beilstein 2 IV 745.]

Check Digit Verification of cas no

The CAS Registry Mumber 29617-66-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,6,1 and 7 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 29617-66:
(7*2)+(6*9)+(5*6)+(4*1)+(3*7)+(2*6)+(1*6)=141
141 % 10 = 1
So 29617-66-1 is a valid CAS Registry Number.
InChI:InChI=1/C5H2ClF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H

29617-66-1 Well-known Company Product Price

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  • (Code)Product description
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  • TCI America

  • (C1373)  (S)-(-)-2-Chloropropionic Acid  >98.0%(GC)(T)

  • 29617-66-1

  • 1g

  • 290.00CNY

  • Detail
  • TCI America

  • (C1373)  (S)-(-)-2-Chloropropionic Acid  >98.0%(GC)(T)

  • 29617-66-1

  • 5g

  • 690.00CNY

  • Detail
  • TCI America

  • (C1373)  (S)-(-)-2-Chloropropionic Acid  >98.0%(GC)(T)

  • 29617-66-1

  • 25g

  • 2,450.00CNY

  • Detail
  • Alfa Aesar

  • (L09427)  (S)-(-)-2-Chloropropionic acid, 99%   

  • 29617-66-1

  • 5g

  • 557.0CNY

  • Detail
  • Alfa Aesar

  • (L09427)  (S)-(-)-2-Chloropropionic acid, 99%   

  • 29617-66-1

  • 25g

  • 1792.0CNY

  • Detail
  • Aldrich

  • (306797)  (S)-(−)-2-Chloropropionicacid  99%

  • 29617-66-1

  • 306797-1G

  • 614.25CNY

  • Detail

29617-66-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-2-Chloropropanoic acid

1.2 Other means of identification

Product number -
Other names (S)-(-)-2-Chloropropionic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:29617-66-1 SDS

29617-66-1Synthetic route

L-alanin
56-41-7

L-alanin

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With hydrogenchloride; nitrosylchloride In water at 0℃; for 1h; Temperature;94%
With hydrogenchloride; sodium nitrite In water at -5 - 20℃;89%
Stage #1: L-alanin With hydrogenchloride; tartaric acid; iron(II) chloride In water for 1h;
Stage #2: With sodium nitrite In water at 0℃; for 4h; Reagent/catalyst;
85.4%
(1R,2R)-2-(naphthalen-2-yloxy)cyclohexyl (S)-2-chloropropanoate

(1R,2R)-2-(naphthalen-2-yloxy)cyclohexyl (S)-2-chloropropanoate

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

B

trans-2-(naphthalen-2-yloxy)cyclohexan-1-ol

trans-2-(naphthalen-2-yloxy)cyclohexan-1-ol

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; water at 50℃; for 24h; Inert atmosphere;A 91%
B 93%
C20H19ClO2

C20H19ClO2

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

B

9,10-dihydro-9,10-ethanoanthracene-11-methanol

9,10-dihydro-9,10-ethanoanthracene-11-methanol

C

(R)-2-chloropropionic acid
7474-05-7

(R)-2-chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane at 50℃; for 8h; Inert atmosphere; Resolution of racemate;A n/a
B 91%
C n/a
(S)-2-Chloro-propionic acid (R)-4,4-dimethyl-2-oxo-1-phenyl-pyrrolidin-3-yl ester

(S)-2-Chloro-propionic acid (R)-4,4-dimethyl-2-oxo-1-phenyl-pyrrolidin-3-yl ester

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran at 0℃; for 0.25h;86%
(+)-ethyl 2-chloropropionate
74497-15-7

(+)-ethyl 2-chloropropionate

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With sodium hydroxide In water85%
L-alanine
56-41-7

L-alanine

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite at 0℃; for 20h;71%
(S)-2-Chlorpropionsaeure-isobutylester
83261-15-8

(S)-2-Chlorpropionsaeure-isobutylester

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With potassium hydroxide In water at 0℃;59%
(2R,3S)-(+)-3-chlorobutane-2-ol
127304-29-4

(2R,3S)-(+)-3-chlorobutane-2-ol

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With potassium hydroxide; bromine at 50℃;
methyl-(S)-2-chloropropionate
73246-45-4

methyl-(S)-2-chloropropionate

A

methanol
67-56-1

methanol

B

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
subtilisin In water at 30℃; Kinetics;
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; esterase from Pseudomonas fluorescens In water at 25℃; pH=7.20; Enzyme kinetics;
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Ophiostoma piliferum In water at 25℃; pH=7.20; Enzyme kinetics;
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Bacillus thermocatenulanatus In water at 40℃; pH=7.20; Enzyme kinetics;
(RS)-1-Pentylpropynyl (L)-2-chloropropanoate
129974-79-4, 129974-81-8, 129974-82-9

(RS)-1-Pentylpropynyl (L)-2-chloropropanoate

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

B

1-octyn-3-ol
32556-71-1

1-octyn-3-ol

C

(R)-1-Pentylpropynyl (L)-2-chloropropanoate
129974-82-9

(R)-1-Pentylpropynyl (L)-2-chloropropanoate

Conditions
ConditionsYield
With water; lipase CC lipase P;
With water; lipase CC Product distribution; or lipase P;
With lipase CC; water or lipase P;
(RS)-Bicyclo<2.2.1>hept-2-yl (L)-2-chloropropanoate
129974-80-7, 129974-83-0, 129974-84-1

(RS)-Bicyclo<2.2.1>hept-2-yl (L)-2-chloropropanoate

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

C

(1R)-Bicyclo<2.2.1>hept-2-yl (L)-2-chloropropanoate
129974-80-7, 129974-83-0, 129974-84-1

(1R)-Bicyclo<2.2.1>hept-2-yl (L)-2-chloropropanoate

Conditions
ConditionsYield
With water; lipase CC lipase P;
With water; lipase CC Product distribution; lipase P;
(R,S)-2-chloropropionic acid
598-78-7

(R,S)-2-chloropropionic acid

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

1,2:5,6-di-O-isopropylidene-α-D-glucofuranos-3-O-yl α-chloropropionate
167937-27-1

1,2:5,6-di-O-isopropylidene-α-D-glucofuranos-3-O-yl α-chloropropionate

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

B

(R)-2-chloropropionic acid
7474-05-7

(R)-2-chloropropionic acid

Conditions
ConditionsYield
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran for 0.5h; Yields of byproduct given. Title compound not separated from byproducts;
2-chloro-propionic acid methyl ester
17639-93-9

2-chloro-propionic acid methyl ester

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

B

(R)-2-chloropropionic acid
7474-05-7

(R)-2-chloropropionic acid

Conditions
ConditionsYield
With Aspergillus niger lipase; sodium acetate buffer In diethyl ether Title compound not separated from byproducts;
barium salt of/the/ L(-)-p-toluenesulfonyllactic acid

barium salt of/the/ L(-)-p-toluenesulfonyllactic acid

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With acetone; lithium chloride
D(+)-p-toluenesulfonyllactic acid

D(+)-p-toluenesulfonyllactic acid

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With water; acetone; lithium chloride
With hydrogenchloride
dextrorotatory α-chloro-propionyl chloride

dextrorotatory α-chloro-propionyl chloride

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With water at 25℃;
dextrorotatory 2-chloro-propanol-(1)

dextrorotatory 2-chloro-propanol-(1)

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With chromic acid at 25℃;
DL-2-chloro-propionic acid

DL-2-chloro-propionic acid

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
ueber das Cinchoninsalz;
L(+)-alanine

L(+)-alanine

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With hydrogenchloride; nitric acid; urea
L-erythro-3-chloro-butan-2-ol

L-erythro-3-chloro-butan-2-ol

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With nitric acid; sodium nitrite
hydrogenchloride
7647-01-0

hydrogenchloride

(2R)-2-(4-Toluenesulfonyloxy)propionic Acid
130368-69-3

(2R)-2-(4-Toluenesulfonyloxy)propionic Acid

lithium chloride

lithium chloride

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

(2R)-2-(4-Toluenesulfonyloxy)propionic Acid
130368-69-3

(2R)-2-(4-Toluenesulfonyloxy)propionic Acid

water
7732-18-5

water

lithium chloride

lithium chloride

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

(2R)-2-(4-Toluenesulfonyloxy)propionic Acid
130368-69-3

(2R)-2-(4-Toluenesulfonyloxy)propionic Acid

acetone
67-64-1

acetone

lithium chloride

lithium chloride

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

2-chloropropanal
692291-15-9

2-chloropropanal

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

B

(R)-2-chloropropionic acid
7474-05-7

(R)-2-chloropropionic acid

Conditions
ConditionsYield
With potassium permanganate; disodium hydrogenphosphate; tert-butyl alcohol for 0.0166667h; Title compound not separated from byproducts;
2-Chloroacrylic acid
598-79-8

2-Chloroacrylic acid

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With potassium phosphate buffer; Burkholderia sp. WS expressing reductase at 30℃; pH=7.1;
(R,S)-2-chloropropionic acid
598-78-7

(R,S)-2-chloropropionic acid

butan-1-ol
71-36-3

butan-1-ol

A

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

B

(R)-2-Chloro-propionic acid butyl ester
79398-16-6

(R)-2-Chloro-propionic acid butyl ester

Conditions
ConditionsYield
With iron oxide-Candida rugosa (E.C.3.1.1.3) lipase In hexane at 30℃; for 168h;
methyl-(S)-2-chloropropionate
73246-45-4

methyl-(S)-2-chloropropionate

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With sodium hydroxide
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

isobutene
115-11-7

isobutene

(S)-tert-butyl 2-chloropropanoate
101617-24-7

(S)-tert-butyl 2-chloropropanoate

Conditions
ConditionsYield
With hydrogen cation100%
With hydrogen cation93%
With sulfuric acid In dichloromethane at 20℃; for 48h;73%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

(S)-2-chloropropionyl chloride
70110-24-6

(S)-2-chloropropionyl chloride

Conditions
ConditionsYield
With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 25℃; for 3h;99%
With thionyl chloride for 4h; Product distribution / selectivity; Reflux;88.2%
With benzoyl chloride at 150℃;52%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

phenol
108-95-2

phenol

(R)-(+)-2-phenoxypropionic acid
1129-46-0

(R)-(+)-2-phenoxypropionic acid

Conditions
ConditionsYield
Stage #1: phenol With sodium hydroxide In water at 55℃; for 0.5h;
Stage #2: (S)-2-chloropropanoic acid In water at 60℃; for 2h; Temperature; Reagent/catalyst;
96.6%
With water; sodium hydroxide at 50 - 70℃; Inert atmosphere;95%
4-bromo-phenol
106-41-2

4-bromo-phenol

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

(2S)-2-(4-bromophenoxy)propanoic acid
37819-43-5

(2S)-2-(4-bromophenoxy)propanoic acid

Conditions
ConditionsYield
Stage #1: 4-bromo-phenol With sodium hydride In tetrahydrofuran for 1h; Heating / reflux;
Stage #2: (S)-2-chloropropanoic acid In tetrahydrofuran for 120h; Heating / reflux;
Stage #3: With hydrogenchloride In dichloromethane at 20℃;
96.4%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

1,2:5,6-di-O-isopropylidene-α-D-glucofuranose
582-52-5

1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

3-O-(D-1-carboxyethyl)-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose
73892-71-4, 74112-33-7, 79982-05-1

3-O-(D-1-carboxyethyl)-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

Conditions
ConditionsYield
With sodium hydride In 1,4-dioxane at 65℃; for 3h;96%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

benzyl 2-acetamido-2-deoxy-5,6-O-isopropylidene-α-D-mannofuranoside
69323-66-6

benzyl 2-acetamido-2-deoxy-5,6-O-isopropylidene-α-D-mannofuranoside

benzyl 2-acetamido-3-O-(D-1-carboxyethyl)-2-deoxy-5,6-O-isopropylidene-α-D-mannofuranoside
69323-68-8, 79943-18-3, 81082-00-0

benzyl 2-acetamido-3-O-(D-1-carboxyethyl)-2-deoxy-5,6-O-isopropylidene-α-D-mannofuranoside

Conditions
ConditionsYield
With sodium hydride In 1,4-dioxane at 65℃; for 3h;95%
benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside
78246-81-8

benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

benzyl 2-acetamido-4,6-O-benzylidene-3-O-[(R)-1-carboxyethyl]-2-deoxy-α-D-glucopyranoside
73089-68-6

benzyl 2-acetamido-4,6-O-benzylidene-3-O-[(R)-1-carboxyethyl]-2-deoxy-α-D-glucopyranoside

Conditions
ConditionsYield
Stage #1: benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside With sodium hydride In 1,4-dioxane; mineral oil at 60℃; for 0.0833333h; Inert atmosphere;
Stage #2: (S)-2-chloropropanoic acid In 1,4-dioxane; mineral oil at 60℃; for 16.5h; Inert atmosphere;
94%
Stage #1: benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside With sodium hydride In 1,4-dioxane at 95℃; for 2h;
Stage #2: (S)-2-chloropropanoic acid In 1,4-dioxane at 60℃; for 3h;
80%
With sodium hydride In 1,4-dioxane at 65℃;80%
Stage #1: benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside With sodium hydride In 1,4-dioxane; mineral oil at 70 - 95℃; for 1h; Williamson Ether Synthesis;
Stage #2: (S)-2-chloropropanoic acid In 1,4-dioxane; mineral oil at 65 - 70℃; for 25h; Williamson Ether Synthesis;
78%
With sodium hydride In 1,4-dioxane; mineral oil at 0 - 70℃; for 3h;18 g
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

1-isoquinolone
491-30-5

1-isoquinolone

(R)-2-(1-oxoisoquinolin-2(1H)-yl)propanoic acid
1255662-58-8

(R)-2-(1-oxoisoquinolin-2(1H)-yl)propanoic acid

Conditions
ConditionsYield
Stage #1: (S)-2-chloropropanoic acid With magnesium tert butanolate In tetrahydrofuran at 35℃; for 0.166667h; Inert atmosphere;
Stage #2: With potassium tert-butylate In tetrahydrofuran at 20℃; for 0.333333h; Inert atmosphere;
Stage #3: 1-isoquinolone In tetrahydrofuran at 20 - 55℃; for 14.5h; Inert atmosphere; optical yield given as %ee; stereospecific reaction;
94%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

(S)-3-[4-(2,6-Dichloro-benzyloxy)-phenyl]-2-(4-methoxy-benzylamino)-propionic acid methyl ester
610314-16-4

(S)-3-[4-(2,6-Dichloro-benzyloxy)-phenyl]-2-(4-methoxy-benzylamino)-propionic acid methyl ester

N-[(S)-2-chloropropionyl]-N-p-methoxybenzyl-L-Tyr(2,6-dichlorobenzyl)-OMe
1342305-95-6

N-[(S)-2-chloropropionyl]-N-p-methoxybenzyl-L-Tyr(2,6-dichlorobenzyl)-OMe

Conditions
ConditionsYield
Stage #1: (S)-2-chloropropanoic acid With trichloroacetonitrile; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1h;
Stage #2: (S)-3-[4-(2,6-Dichloro-benzyloxy)-phenyl]-2-(4-methoxy-benzylamino)-propionic acid methyl ester With methyloxirane In tetrahydrofuran
93%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

2-acetamido-4,6-O-benzylidene-N-benzyloxycarbonyl-1,5-imino-1,2,5-trideoxy-D-glucitol
175519-63-8

2-acetamido-4,6-O-benzylidene-N-benzyloxycarbonyl-1,5-imino-1,2,5-trideoxy-D-glucitol

2-acetamido-4,6-O-benzylidene-1,5-(benzyloxycarbonyl)imino-3-O-[(1R)-1-carboxy]ethyl-1,2,5-trideoxy-D-glucitol
1356848-62-8

2-acetamido-4,6-O-benzylidene-1,5-(benzyloxycarbonyl)imino-3-O-[(1R)-1-carboxy]ethyl-1,2,5-trideoxy-D-glucitol

Conditions
ConditionsYield
Stage #1: 2-acetamido-4,6-O-benzylidene-N-benzyloxycarbonyl-1,5-imino-1,2,5-trideoxy-D-glucitol With sodium hydride In tetrahydrofuran; oil at 60℃; for 0.5h; Inert atmosphere;
Stage #2: (S)-2-chloropropanoic acid In tetrahydrofuran; oil at 20 - 60℃; for 21h;
91%
4-nitro-phenol
100-02-7

4-nitro-phenol

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

R-(+)-2- (4-nitrophenoxy) propionic acid
2852-88-2

R-(+)-2- (4-nitrophenoxy) propionic acid

Conditions
ConditionsYield
Stage #1: 4-nitro-phenol With sodium hydroxide In water at 75℃; for 0.5h; pH=13;
Stage #2: (S)-2-chloropropanoic acid In water at 75℃; for 2h; Temperature; pH-value;
90.9%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Benzyl 2-deoxy-4,6-O-isopropylidene-2-(2-tetradecylhexadecanoylamino)-α-D-glucopyranoside

Benzyl 2-deoxy-4,6-O-isopropylidene-2-(2-tetradecylhexadecanoylamino)-α-D-glucopyranoside

Benzyl 3-O-(D-1-carboxyethyl)-2-deoxy-4,6-O-isopropylidene-2-(2-tetradecylhexadecanoylamino)-α-D-glucopyranoside
81639-20-5

Benzyl 3-O-(D-1-carboxyethyl)-2-deoxy-4,6-O-isopropylidene-2-(2-tetradecylhexadecanoylamino)-α-D-glucopyranoside

Conditions
ConditionsYield
With sodium hydride In 1,4-dioxane 1.) 90 deg C, 1 h, 2.) 60 deg C, 5 h;88%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

C25H27NO4
1342305-93-4

C25H27NO4

C28H30ClNO5
1342305-94-5

C28H30ClNO5

Conditions
ConditionsYield
Stage #1: (S)-2-chloropropanoic acid With trichloroacetonitrile; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1h;
Stage #2: C25H27NO4 With methyloxirane In tetrahydrofuran
88%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

(2S,4aR,7R,8R,8aS)-7-azido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-ol

(2S,4aR,7R,8R,8aS)-7-azido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-ol

(R)-2-(((2S,4aR,7R,8R,8aS)-7-azido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yI)oxy)propanoic acid

(R)-2-(((2S,4aR,7R,8R,8aS)-7-azido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yI)oxy)propanoic acid

Conditions
ConditionsYield
Stage #1: (2S,4aR,7R,8R,8aS)-7-azido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-ol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Inert atmosphere;
Stage #2: (S)-2-chloropropanoic acid With hydrogen In N,N-dimethyl-formamide; mineral oil for 0.5h;
Stage #3: With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 16h;
88%
3,4-di-O-benzyl-2-acetamido-2-desoxy-α-benzyl-D-glucopyranoside
55287-54-2

3,4-di-O-benzyl-2-acetamido-2-desoxy-α-benzyl-D-glucopyranoside

(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

benzyl 2-acetamido-3,4-di-O-benzyl-6-O-(D-1-carboxyethyl)-2-deoxy-α-D-glucopyranoside
75281-03-7, 79548-56-4

benzyl 2-acetamido-3,4-di-O-benzyl-6-O-(D-1-carboxyethyl)-2-deoxy-α-D-glucopyranoside

Conditions
ConditionsYield
With sodium hydride In 1,4-dioxane at 65℃; for 1h;87%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

allyl 2-acetamido-2,4-dideoxy-4-fluoro-6-O-benzyl-α-D-glucopyranoside
709669-20-5

allyl 2-acetamido-2,4-dideoxy-4-fluoro-6-O-benzyl-α-D-glucopyranoside

2-N-acetyl-1-α-allyl-6-O-benzyl-4-deoxy-4-fluoro-muramic acid
709669-21-6

2-N-acetyl-1-α-allyl-6-O-benzyl-4-deoxy-4-fluoro-muramic acid

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran at 40℃; for 18h;87%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

N-Pmb-L-Orn(Z)-OMe
610314-17-5

N-Pmb-L-Orn(Z)-OMe

N-[(S)-2-chloropropionyl]-N-(p-methoxybenzyl)-L-orn(Z)-OMe
1252809-27-0

N-[(S)-2-chloropropionyl]-N-(p-methoxybenzyl)-L-orn(Z)-OMe

Conditions
ConditionsYield
Stage #1: (S)-2-chloropropanoic acid With trichloroacetonitrile; triphenylphosphine In tetrahydrofuran at 0℃; for 0.5h;
Stage #2: N-Pmb-L-Orn(Z)-OMe With methyloxirane In tetrahydrofuran for 48h;
87%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

N-p-propoxybenzyl-L-Phe-OMe
1342305-87-6

N-p-propoxybenzyl-L-Phe-OMe

N-[(S)-2-chloropropionyl]-N-p-propoxybenzyl-L-Phe-OMe
1342305-89-8

N-[(S)-2-chloropropionyl]-N-p-propoxybenzyl-L-Phe-OMe

Conditions
ConditionsYield
Stage #1: (S)-2-chloropropanoic acid With trichloroacetonitrile; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1h;
Stage #2: N-p-propoxybenzyl-L-Phe-OMe With methyloxirane In tetrahydrofuran
87%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

N-((4aR,6S,7R,8R,8aS)-6-(benzyloxy)-8-hydroxy-2,2-dimethylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
66026-10-6

N-((4aR,6S,7R,8R,8aS)-6-(benzyloxy)-8-hydroxy-2,2-dimethylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide

(R)-2-(((4aR,6S,7R,8R,8aS)-7-acetamido-6-(benzyloxy)-2,2-dimethylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid
69323-67-7

(R)-2-(((4aR,6S,7R,8R,8aS)-7-acetamido-6-(benzyloxy)-2,2-dimethylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran at 20 - 50℃; for 18h; Inert atmosphere;85%
With sodium hydride 1) THF, 2) 50 deg C, 18 h; Yield given. Multistep reaction;
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

N-phenethyl-L-Phe-OMe
196214-70-7

N-phenethyl-L-Phe-OMe

N-[(S)-2-chloropropionyl]-N-phenethyl-L-Phe-OMe
1342305-90-1

N-[(S)-2-chloropropionyl]-N-phenethyl-L-Phe-OMe

Conditions
ConditionsYield
Stage #1: (S)-2-chloropropanoic acid With trichloroacetonitrile; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1h;
Stage #2: N-phenethyl-L-Phe-OMe With methyloxirane In tetrahydrofuran
85%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

N-((1R,2S,3R,4R,5R)-3-hydroxy-2-(trityloxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl)acetamide
84034-62-8

N-((1R,2S,3R,4R,5R)-3-hydroxy-2-(trityloxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl)acetamide

(R)-2-(((1R,2S,3R,4R,5R)-4-acetamido-2-(trityloxy)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)propanoic acid

(R)-2-(((1R,2S,3R,4R,5R)-4-acetamido-2-(trityloxy)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)propanoic acid

Conditions
ConditionsYield
Stage #1: N-((1R,2S,3R,4R,5R)-3-hydroxy-2-(trityloxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl)acetamide With sodium hydride In 1,4-dioxane; mineral oil at 20 - 45℃; for 0.416667h; Inert atmosphere;
Stage #2: (S)-2-chloropropanoic acid In 1,4-dioxane; mineral oil at 90℃; for 1.5h; Inert atmosphere;
85%
Stage #1: N-((1R,2S,3R,4R,5R)-3-hydroxy-2-(trityloxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl)acetamide With sodium hydride In 1,4-dioxane; mineral oil at 45℃; for 0.166667h;
Stage #2: (S)-2-chloropropanoic acid In 1,4-dioxane; mineral oil at 90℃; for 0.5h; diastereoselective reaction;
70%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

ethyl ((4aR,6S,7R,8R,8aS)-6-(benzyloxy)-8-hydroxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)-1,4-dioxaspiro[4.5]decane-2-carboxamide

ethyl ((4aR,6S,7R,8R,8aS)-6-(benzyloxy)-8-hydroxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)-1,4-dioxaspiro[4.5]decane-2-carboxamide

(2R)-2-((4aR,6S,7R,8R,8aS)-6-(benzyloxy)-2-phenyl-7-(1,4-dioxaspiro[4.5]decane-2-carboxamido)hexahydropyrano[3,2-d][1,3]dioxin-8-yloxy)propanoic acid

(2R)-2-((4aR,6S,7R,8R,8aS)-6-(benzyloxy)-2-phenyl-7-(1,4-dioxaspiro[4.5]decane-2-carboxamido)hexahydropyrano[3,2-d][1,3]dioxin-8-yloxy)propanoic acid

Conditions
ConditionsYield
Stage #1: ethyl ((4aR,6S,7R,8R,8aS)-6-(benzyloxy)-8-hydroxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)-1,4-dioxaspiro[4.5]decane-2-carboxamide With sodium hydride In 1,4-dioxane; mineral oil at 95℃; for 1h;
Stage #2: (S)-2-chloropropanoic acid In 1,4-dioxane; mineral oil at 65℃; for 17h;
85%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

Benzyl 2-deoxy-4,6-O-isopropylidene-2-(tetracosanoylamino)-α-D-glucopyranoside
81639-18-1

Benzyl 2-deoxy-4,6-O-isopropylidene-2-(tetracosanoylamino)-α-D-glucopyranoside

Benzyl 3-O-(D-1-carboxyethyl)-2-deoxy-4,6-O-isopropylidene-2-(tetracosanoylamino)-α-D-glucopyranoside
81639-19-2

Benzyl 3-O-(D-1-carboxyethyl)-2-deoxy-4,6-O-isopropylidene-2-(tetracosanoylamino)-α-D-glucopyranoside

Conditions
ConditionsYield
With sodium hydride In 1,4-dioxane 1.) 90 deg C, 1 h, 2.) 60 deg, 5 h;84%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

benzyl 4,6-O-benzylidene-2-acetylamino-2-deoxy-α-D-glucopyranoside
13343-63-0

benzyl 4,6-O-benzylidene-2-acetylamino-2-deoxy-α-D-glucopyranoside

Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-3-O-<(R)-1-carboxyethyl>-α-D-glucopyranoside
2862-03-5

Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-3-O-<(R)-1-carboxyethyl>-α-D-glucopyranoside

Conditions
ConditionsYield
With sodium hydride In 1,4-dioxane at 60℃; for 0.833333h;84%
(S)-2-chloropropanoic acid
29617-66-1

(S)-2-chloropropanoic acid

allyl 2-N-acetamido-2-deoxy-4,6-O-isopropylidene-β-D-glucopyranoside
95068-66-9

allyl 2-N-acetamido-2-deoxy-4,6-O-isopropylidene-β-D-glucopyranoside

2-N-acetyl-1-β-O-allyl 4,6-O-isopropylidenemuramic acid
364368-47-8

2-N-acetyl-1-β-O-allyl 4,6-O-isopropylidenemuramic acid

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran for 20h; Heating;84%

29617-66-1Relevant articles and documents

Optimization of the use of a chiral bio-based building block for the manufacture of DHPPA, a key intermediate for propionate herbicides

Fleer, Michel P. M.,Verkuijl, Bastiaan J. V.

, p. 3993 - 3998 (2014)

An alternative route for the production of (R)-2-(4-hydroxyphenoxy) propionic acid (DHPPA), a key intermediate in herbicide chemistry, is proposed. This route makes use of a chiral building block, initially produced by fermentation. The route has been optimized based on two steps: chlorination and etherification. The chlorination step has a maximum ee of 99% and a yield of 85% after distillation. The etherification step has a yield of 66%. Comparison of the route with the industrial standard shows a significant improvement in terms of green chemistry: waste streams are lowered up to 7-fold and the toxicity of the waste streams is reduced. This journal is the Partner Organisations 2014.

Asymmetric reduction of 2-chloroacrylic acid to (S)-2-chloropropionic acid by a novel reductase from Burkholderia sp. WS

Kurata, Atsushi,Kurihara, Tatsuo,Kamachi, Harumi,Esaki, Nobuyoshi

, p. 2837 - 2839 (2004)

Burkholderia sp. WS has a novel enzyme that catalyzes the asymmetric reduction of 2-chloroacrylic acid to yield (S)-2-chloropropionic acid, which is used as a building block for the synthesis of aryloxyphenoxypropionic acid herbicides. NADPH is required as a co-substrate for this reaction.

A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies

Raza, Abdul Rauf,Nisar, Bushra,Khalid, Muhammad,Gondal, Humaira Yasmeen,Khan, Muhammad Usman,de Alcantara Morais, Sara Figueirêdo,Tahir, Muhammad Nawaz,Braga, Ataualpa Albert Carmo

, (2020/01/21)

The use of microwave (MW) irradiation in organic synthesis has become increasingly popular within the pharmaceutical and academic arenas because it is a new enabling technology for drug discovery and development. It is a rapid way of synthesis, which involves faster reaction rates and high selectivity to conventional heating method of syntheses. The MW-assisted 7-exo-tet cyclization of N-acylanthranilic acids afforded (3R)-3-alkyl-4,1-benzoxazepines-2,5-diones in very short duration (20 min) with extraordinary high yields in comparison to conventional heating mode of synthesis. The method development, comparative yields of MW-assisted and thermal method of syntheses, crystallographic, spectroscopic and density functional theory (DFT) studies are reported herein. Four novel compounds with chemical formulas C10H9BrClNO3 5m, C19H19NO3 6e, C13H14ClNO3 6h and C12H11Br2NO3 6h were synthesized, validated by 1HNMR, 13CNMR, FT-IR, UVVis, EIMS spectroscopic techniques and confirmed by using single crystal X-ray diffraction (SC-XRD) study. The DFT and TDDFT calculations at B3LYP/6-311 + G(d,p) level of theory were performed for comparative analysis of spectroscopic data, optimized geometries, frontier molecular orbitals (FMOs), natural bond orbital (NBO) analysis and nonlinear optical (NLO) properties of 5m, 6e, 6h and 6o. Overall, experimental findings were supported nicely by corresponding DFT computed results. The NBO analysis confirmed that the presence of non-covalent interactions, hydrogen bonding and hyper- conjugative interactions are pivotal cause for the existence of 5m, 6e, 6h and 6o in the solid-state. NLO analysis showed that 5m, 6e, 6h and 6o have significant NLO properties as compared to prototype standard compound which disclosed their potential for technology related applications.

Synthetic method of high-purity and high-yield L-2-chloropropionic acid

-

Paragraph 0021; 0023; 0025; 0027; 0029, (2018/04/26)

The invention discloses a synthetic method of L-2-chloropropionic acid. The synthetic method comprises the steps of firstly dissolving L-alanine into hydrochloric acid, introducing nitrosyl chloride and hydrogen chloride gas for reaction, after the raw materials are converted, filtering, continuing to stir for 1-2 hours, and an alkaline reagent for neutralization, extracting by virtue of an organic solvent, combining organic phases, drying by virtue of anhydrous calcium chloride, filtering, and carrying out rectification, so as to obtain a product, namely L-2-chloropropionic acid. The method has the advantages that the operation is simple, and the emission of wastewater is reduced; and by taking nitrosyl chloride with relatively high activity as a diazotization regent, aliphatic amino canbe rapidly converted into chlorine, so that the raw material conversation rate and the yield are greatly increased, the yield can reach 90% or above, an original configuration is not reversed in the reaction process, and the optical purity ee value can reach 99.1%.

Di(1-naphthyl) methanol ester of carboxylic acids for absolute stereochemical determination

Zhang, Jun,Sheng, Wei,Gholami, Hadi,Nehira, Tatsuo,Borhan, Babak

supporting information, p. 141 - 146 (2017/11/13)

The absolute stereochemistry of chiral carboxylic acids is determined as a di(1-naphthyl)methanol ester derivative. Computational scoring of conformations favoring either P or M helicity of the naphthyl groups, capable of exciton-coupled circular dichroic coupling, leads to a predicted stereochemistry for the derivatized carboxylic acids.

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