CAS No.105560-93-8,METHYL (2R,3S)-2,3-EPOXY-3-(4-METHOXYPHENYL)PROPIONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105560-93-8
Name:	METHYL (2R,3S)-2,3-EPOXY-3-(4-METHOXYPHENYL)PROPIONATE
Article Data:	35

Formula:	C₁₁H₁₂O₄
Molecular Weight:	208.214
Synonyms:	Oxiranecarboxylicacid, 3-(4-methoxyphenyl)-, methyl ester, (2R,3S)- (9CI);Oxiranecarboxylicacid, 3-(4-methoxyphenyl)-, methyl ester, (2R-trans)-;(2R,3S)-3-(4-Methoxyphenyl)glycidic acid methyl ester;Methyl (2R,3S)-3-(4-methoxyphenyl)glycidate;
EINECS:	404-130-2
Density:	1.224 g/cm₃
Melting Point:	87-88 °C
Boiling Point:	297.721 °C at 760 mmHg
Flash Point:	129.237 °C
Appearance:	White fine crystals
Hazard Symbols:	Xi
Risk Codes:	41-43-52/53
Safety:	24-26-37/39-61
PSA:	48.06000
LogP:	1.30810

Synthetic route

: 134931-62-7
methyl (2S,3S)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propionate

: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 2h;	90%

: 67-56-1
methanol

: 136597-65-4
(-)-(2R,3S)-sodium 3-(4-methoxyphenyl)glycidate

: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

Conditions

Conditions	Yield
With triethylamine; 2-chloro-1-methylpyridinium sulfate In dichloromethane; 1,2-dichloro-ethane Ambient temperature;	83%

: 67-56-1
methanol

: (2R,2'R,3'S)-N-[3'-{(4-methoxyphenyl)oxyranyl}methanone]bornanesultam

: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

Conditions

Conditions	Yield
With n-butyllithium In diethyl ether; hexane at -78℃; Inert atmosphere;	79%

: 3901-07-3
3-(4-methoxy-phenyl)acrylic acid methyl ester

: 71-36-3
butan-1-ol

A: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

B: 139345-88-3
(2S,3R)-trans-(4-methoxyphenyl)glycidic acid butyl ester

C: 137173-40-1
(2S,3R)-methyl p-methoxycinnamate epoxide

Conditions

Conditions	Yield
Stage #1: 3-(4-methoxy-phenyl)acrylic acid methyl ester With Oxone; (R)-1,1'-binaphthyl-2,2'-dicarboxylic acid cyclic ester In 1,4-dioxane; water for 26h; Stage #2: butan-1-ol With Serratia marcescens lipase on celit for 25h; Further stages.;	A 76% B 6.2% C 1.6%

...Expand

: 153829-67-5
methyl (2S,3S)-(+)-2-bromo-3-hydroxy-3-(4-methoxyphenyl)propionate

A: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

B: 137173-40-1
(2S,3R)-methyl p-methoxycinnamate epoxide

Conditions

Conditions	Yield
With potassium carbonate In methanol; diethyl ether at 0 - 5℃; for 0.5h; Yields of byproduct given. Title compound not separated from byproducts;	A 74% B n/a

: 96125-49-4
methyl trans-3-(4-methoxyphenyl)glycidate

: 100-79-8
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

: trans-3-(4-methoxyphenyl)-glycidic acid 2,2-dimethyl-1,3-dioxolane-4-methyl ester

B: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

C: 137173-40-1
(2S,3R)-methyl p-methoxycinnamate epoxide

Conditions

Conditions	Yield
With lipase type VII In cyclohexane at 33℃; for 9.5h; Enzymatic reaction;	A 45.6% B n/a C n/a
With lipase type VII In diethyl ether; hexane at 26℃; for 13.5h; Enzymatic reaction;	A 23.1% B n/a C n/a

...Expand

: 96125-49-4
methyl trans-3-(4-methoxyphenyl)glycidate

: 78-92-2, 15892-23-6
iso-butanol

: trans-3-(4-methoxyphenyl)-glycidic acid 2-butyl ester

B: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

C: 137173-40-1
(2S,3R)-methyl p-methoxycinnamate epoxide

Conditions

Conditions	Yield
With lipase AMANO for 9h; Enzymatic reaction;	A 37.6% B n/a C n/a
With lipase AMANO In cyclohexane at 40℃; for 12h; Enzymatic reaction;	A 30% B n/a C n/a

...Expand

: 108-01-0
2-(N,N-dimethylamino)ethanol

: 96125-49-4
methyl trans-3-(4-methoxyphenyl)glycidate

A: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

B: (2S,3R)-3-(4-Methoxy-phenyl)-oxirane-2-carboxylic acid 2-dimethylamino-ethyl ester

Conditions

Conditions	Yield
With 5A molecular sieve; Novozym 435 (Candida antarctica lipase, EC 3.1.1.3) In toluene at 20℃; for 4h; Product distribution; Enzyme kinetics; Further Variations:; Solvents; Reagents; Reaction partners; Enzymatic reaction;	A 37.5% B n/a

...Expand

: 96125-49-4
methyl trans-3-(4-methoxyphenyl)glycidate

A: 5703-26-4
4-Methoxyphenylacetaldehyde

B: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

C: 106003-21-8
(2S,3R)-trans-(4-methoxyphenyl)glycidic acid

Conditions

Conditions	Yield
In cyclohexane; water for 1.5h; Ambient temperature; enzymatic hydrolysis by lipase from Candida cylindracea (CCL), pH 7.4, other enzymes; enzymatic transesterification;	A n/a B 35% C n/a
In cyclohexane; water for 1.5h; Ambient temperature; enzymatic hydrolysis by lipase from Candida cylindracea (CCL), pH 7.4;	A n/a B 35% C n/a

...Expand

: 42245-42-1
methyl 3-(4-methoxyphenyl)glycidate

A: 105560-93-8
methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

B: 106003-21-8
(2S,3R)-trans-(4-methoxyphenyl)glycidic acid

Conditions

Conditions	Yield
With water In acetone at 25℃; Rhizopus arrhizus mycelium lipase, pH 7;

Raw Materials

42245-42-1

2881-83-6

943-89-5

71-36-3

19310-29-3

123-11-5

3901-07-3

67-56-1

Downstream Products

42399-40-6

Total:90 Page 1 of 3 1 2 3 Next>>

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Specification

Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate is an organic compound with the formula C₁₁H₁₂O₄, and its systematic name is the same with the product name. With the CAS registry number 105560-93-8, it is also named as (2R,3S)-3-(4-Methoxyphenyl)glycidic acid methyl ester. Its EINECS number is 404-130-2. In addition, the molecular weight is 208.21.

Physical properties of Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate are: (1)ACD/LogP: 0.902; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.90; (4)ACD/LogD (pH 7.4): 0.90; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.85; (7)ACD/KOC (pH 5.5): 73.71; (8)ACD/KOC (pH 7.4): 73.71; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.06 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 52.902 cm³; (15)Molar Volume: 170.081 cm³; (16)Polarizability: 20.972×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 129.237 °C; (20)Enthalpy of Vaporization: 53.759 kJ/mol; (21)Boiling Point: 297.721 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical has a risk of serious damage to eyes and may cause sensitisation by inhalation and skin contact. It is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing and gloves and avoid contact with skin. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H]2O[C@H]2c1ccc(OC)cc1
(2)Std. InChI: InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3/t9-,10+/m0/s1
(3)Std. InChIKey: CVZUMGUZDAWOGA-VHSXEESVSA-N