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Cas Database

Name	(S)-2-Benzylsuccinic acid	EINECS	609-742-5
CAS No.	3972-36-9	Density	1.29 g/cm³
PSA	74.60000	LogP	1.40460
Solubility	N/A	Melting Point	164.0 to 168.0 °C
Formula	C₁₁H₁₂O₄	Boiling Point	331.4 °C at 760 mmHg
Molecular Weight	208.214	Flash Point	168.4 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	s-2-benzylsuccinic acid;Butanedioicacid, (phenylmethyl)-, (2S)- (9CI);Butanedioic acid, (phenylmethyl)-, (S)-;(-)-Benzylsuccinic acid;(S)-Benzylsuccinic acid;2(S)-Benzyl-3-carboxypropionic acid;L-(-)-Benzylsuccinic acid;	Article Data	22

(S)-2-Benzylsuccinic acid Synthetic route

: 1141895-98-8
(S)-3-benzyl-4-((R)-4-benzyl-2-oxooxazolidin-3-yl)-4-oxobutanoic acid

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; lithium hydroxide In tetrahydrofuran; water at 0℃;	100%

: bis[(S)-3-methyl-2-phenylbutylammonium] (S)-2-benzylsuccinate

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With sodium hydroxide In water	98.8%

: 140903-48-6
phenylmethyl 3-carboxy-2(S)-(phenylmethyl)-1-propanoate

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol for 2h; Ambient temperature;	97%

: 65756-81-2
(Z)-2-benzylidenesuccinic acid

A: 3972-36-9
(2S)-benzylsuccinic acid

B: 21307-97-1
(R)-2-benzylsuccinic acid

Conditions

Conditions	Yield
With hydrogen; triethylamine; Ru2Cl4((R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl)2 In tetrahydrofuran; toluene at 35℃; under 2206.5 Torr; for 24h; op = 90percent, var. cat. RuHCl*2<(+)-BINAP>; Title compound not separated from byproducts;	A 94% B n/a

: 787635-23-8
(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With lithium hydroxide; dihydrogen peroxide at 0 - 20℃; for 13h;	93%

: 5653-88-3
2-benzylidenesuccinic acid

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With Ru(OCOCH3)2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl)}; hydrogen In methanol at 50℃; under 760.051 Torr; for 10h; Molecular sieve; Inert atmosphere; Large scale;	81%

: 65756-81-2
(Z)-2-benzylidenesuccinic acid

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With hydrogen; acetic acid; palladium on activated charcoal at 75℃; for 3h;	10%

: 36092-42-9
2-benzylsuccinic acid

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With (R)-1-phenyl-ethyl-amine

: diethyl (S)-2-benzylsuccinate

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With sodium hydroxide In ethanol

: 5653-88-3, 65756-81-2, 46427-07-0
trans-phenylitaconic acid

: 3972-36-9
(2S)-benzylsuccinic acid

Conditions

Conditions	Yield
With formic acid; CF3SO3; triethylamine In dimethyl sulfoxide at 44.9℃; Rate constant;
With hydrogen; chloro(1,5-cyclooctadiene)rhodium(I) dimer; (2S,4S)-4-(Diphenylphosphino)-2-<(diphenylphosphino)-methyl>-N-phenoxycarbonylpyrrolidine In methanol; benzene at 20℃; under 760 Torr; for 4h;

(S)-2-Benzylsuccinic acid Chemical Properties

Following is the structure of Butanedioicacid, 2-(phenylmethyl)-, (2S)- , hydrochloride (1:1) (CAS NO.3972-36-9):

Empirical Formula: C₁₁H₁₂O₄
Molecular Weight: 208.2106
Index of Refraction: 1.567
Molar Refractivity: 52.78 cm³
Molar Volume: 161.3 cm³
Density: 1.29 g/cm³
Flash Point: 168.4 °C
Surface Tension: 57.3 dyne/cm
Enthalpy of Vaporization: 60.6 kJ/mol
Boiling Point: 331.4 °C at 760 mmHg
Vapour Pressure of Butanedioicacid, 2-(phenylmethyl)-, (2S)- , hydrochloride (1:1) (CAS NO.3972-36-9): 6.23E-05 mmHg at 25 °C
Product Categories of Butanedioicacid, 2-(phenylmethyl)-, (2S)- , hydrochloride (1:1) (CAS NO.3972-36-9): Pharmaceutical material and intermeidates; Acids and Derivatives; APIs Intermediate
SMILES: O=C(O)C[C@@H](C(=O)O)Cc1ccccc1
InChI: InChI=1/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKey: GTOFKXZQQDSVFH-VIFPVBQEBD

(S)-2-Benzylsuccinic acid Specification

Butanedioicacid, 2-(phenylmethyl)-, (2S)- , its cas register number 3972-36-9. It also can be called (S)-2-Benzylsuccinic acid .

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