CAS No.60410-16-4,(1R,3S)-4-CYCLOPENTENE-1,3-DIOL 1-ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60410-16-4
Name:	(1R,3S)-4-CYCLOPENTENE-1,3-DIOL 1-ACETATE
Article Data:	51

Formula:	C₇H₁₀O₃
Molecular Weight:	142.155
Synonyms:	4-Cyclopentene-1,3-diol,monoacetate, (1R,3S)- (9CI);4-Cyclopentene-1,3-diol, monoacetate, (1R-cis)-;(+)-(1R,4S)-4-Hydroxy-2-cyclopenten-1-yl acetate;(+)-(1R-cis)-4-Cyclopentene-1,3-diol monoacetate;(1R,3S)-(+)-1-Acetoxy-3-hydroxy-4-cyclopentene;(1R,3S)-(+)-4-Cyclopentene-1,3-diol 1-acetate;(1R,4S)-(+)-4-Hydroxy-2-cyclopentenyl acetate;(1s,4r)-cis-4-Acetoxy-2-cyclopenten-1-ol;
Density:	1.171 g/cm³
Melting Point:	49-52 °C
Boiling Point:	207.984 °C at 760 mmHg
Flash Point:	83.718 °C
Appearance:	white to light yellow solid
PSA:	46.53000
LogP:	0.23890

Synthetic route

: 54664-61-8
cis-1,4-diacetoxy-2-cyclopentene

: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With Novosyme sp 435 lipase In various solvent(s) at 20℃; for 18h; pH=8;	96%
With Novozym 435	96%
With lipase from candida antartica In aq. phosphate buffer at 20℃; for 24h; pH=8; Enzymatic reaction; enantioselective reaction;	96%

: 54664-61-8
cis-1,4-diacetoxy-2-cyclopentene

A: 60176-77-4
(1S,4R)-4-hydroxy-2-cyclopentenyl acetate

B: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With methanol; lipase B from Candida antarctica In tert-butyl methyl ether at 5℃; for 16h; Enzymatic reaction; enantioselective reaction;	A n/a B 95%
With sodium hydroxide; Esterase(porcine liver)PLE In water at 32℃; for 8h; Product distribution; further enzymes; pH=7, phosphate buffer;
With N-(2-acetamido)-2-aminoethanesulfonic acid; ethanolamine; 2-amino-2-hydroxymethyl-1,3-propanediol at 37℃; for 8h; Product distribution; antibody of IgG class: 37E8, pH 8.0; Km, Kcat, Ki; var. enzymes and time;

: 61305-31-5
(-)-acetic acid cis-4-(tetrahydro-pyran-2-yloxy)-cyclopent-2-enyl ester

: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In ethanol; ethyl acetate	91%

: 29783-26-4
cis-4-cyclopentene-1,3-diol

: 108-24-7
acetic anhydride

A: 54664-61-8
cis-1,4-diacetoxy-2-cyclopentene

B: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
Stage #1: cis-4-cyclopentene-1,3-diol With (4-(pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1′,2′-e]azepine-2,6-diyl)bis(bis(4-((tertbutyldimethylsilyl)oxy)phenyl)methanol); N-ethyl-N,N-diisopropylamine In tert-butyl methyl ether at -40℃; for 0.25h; Stage #2: acetic anhydride In tert-butyl methyl ether at -40℃; for 6h; Temperature; Time; enantioselective reaction;	A n/a B 89%

...Expand

: cis-3,5-diacetoxycyclopentene

: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With Candida antartica lipase B In aq. phosphate buffer for 3.5h; pH=7; Enzymatic reaction;	85%

: 115074-49-2
(1R,4S)-4-[(tert-butyldimethylsilyl)oxy]-2-cyclopentene-1-yl acetate

: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride	82%

: 108-05-4
vinyl acetate

: cis-4-cyclopentene-1,3-diol

A: 54664-61-8
cis-1,4-diacetoxy-2-cyclopentene

B: 60176-77-4
(1S,4R)-4-hydroxy-2-cyclopentenyl acetate

C: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
lipase EC 3.1.1.3 L10 In water; acetone at 5 - 25℃; for 6.5h; Product distribution / selectivity;	A n/a B 76.4% C n/a
lipase EC 3.1.1.3 QLC In water; acetone at 5 - 25℃; for 6.5h; Product distribution / selectivity;	A n/a B 76.4% C n/a
lipase EC 3.1.1.3 QL In water; acetone at 5 - 25℃; for 6.5h; Product distribution / selectivity;	A n/a B 75.5% C n/a
lipase EC 3.1.1.3 QLG In water; acetone at 5 - 25℃; for 6.5h; Product distribution / selectivity;	A n/a B 61.9% C n/a
pancreatin lipase In water; acetone at 5 - 25℃; for 6.5h; Product distribution / selectivity;	A n/a B 16.5% C n/a

...Expand

: 60389-71-1, 60410-14-2, 61826-75-3
meso-cis-1,4-diacetoxy-2-cyclopentene

: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With novozyme 435 In aq. phosphate buffer at 4℃; for 18h; pH=6; pH-value; Temperature; Time; Enzymatic reaction;	76%
With porcine liver esterase; phosphate buffer at 37℃; for 48h; pH=7.0; Hydrolysis;	34%
With sodium hydroxide; Lipase PS Amano In water pH=7; Product distribution / selectivity; phosphate buffer; Enzymatic reaction;	n/a
With sodium hydroxide; Novo SP435 In water pH=7; Product distribution / selectivity; phosphate buffer; Enzymatic reaction;

: 108-05-4
vinyl acetate

: 29783-26-4
cis-4-cyclopentene-1,3-diol

A: 54664-61-8
cis-1,4-diacetoxy-2-cyclopentene

B: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 2.5h; Ambient temperature; Pancreatin as lipase;	A 32% B 65%
With triethylamine In tetrahydrofuran for 2h; Ambient temperature; Candida sp. 382 as lipase;	A 40% B 53%

...Expand

: 108-05-4
vinyl acetate

: 29783-26-4
cis-4-cyclopentene-1,3-diol

A: 54664-61-8
cis-1,4-diacetoxy-2-cyclopentene

B: 60176-77-4
(1S,4R)-4-hydroxy-2-cyclopentenyl acetate

C: 60410-16-4
(1R,4S)-4-hydroxy-2-cyclopentene-1-yl acetate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 23h; Enzymatic reaction; enantioselective reaction;	A 25% B 61% C n/a

...Expand

Raw Materials

60389-71-1

108-05-4

64-19-7

542-92-7

Downstream Products

Total:78 Page 1 of 3 1 2 3 Next>>

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Specification

This chemical is called (1S,4R)-cis-4-Acetoxy-2-cyclopenten-1-ol, and it can also be named as (1R,3S)-(+)-cis-4-Cyclopentene-1,3-diol 1-acetate. With the molecular formula of C₇H₁₀O₃, its molecular weight is 142.15. The CAS registry number of this chemical is 60410-16-4. In addition, this chemical is white to light yellow solid, and it should be stored in the sealed, cool and dry plcace.

Other characteristics of the (1S,4R)-cis-4-Acetoxy-2-cyclopenten-1-ol can be summarised as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 35.666 cm³; (15)Molar Volume: 121.367 cm³; (16)Polarizability: 14.139×10^-24cm³; (17)Surface Tension: 40.837 dyne/cm; (18)Density: 1.171 g/cm³; (19)Flash Point: 83.718 °C; (20)Enthalpy of Vaporization: 51.676 kJ/mol; (21)Boiling Point: 207.984 °C at 760 mmHg; (22)Vapour Pressure: 0.051 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O[C@@H]1\C=C/[C@H](O)C1)C
2.InChI: InChI=1/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m0/s1
3.InChIKey: IJDYOKVVRXZCFD-NKWVEPMBBR