CAS No.185836-75-3,(R)-2-METHYLSUCCINIC ACID 4-TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	185836-75-3
Name:	(R)-2-METHYLSUCCINIC ACID 4-TERT-BUTYL ESTER
Article Data:	8

Formula:	C₉H₁₆O₄
Molecular Weight:	188.224
Synonyms:	Butanedioic acid,methyl-, 4-(1,1-dimethylethyl) ester, (R)-;Butanedioicacid, methyl-, 4-(1,1-dimethylethyl) ester, (2R)- (9CI);
EINECS:	208-224-2
Density:	1.072 g/cm³
Melting Point:	59-60℃
Boiling Point:	281.928 °C at 760 mmHg
Flash Point:	104.694 °C
PSA:	63.60000
LogP:	1.43890

Synthetic route

: 202874-73-5
(4S)-3-((2R)-4-(tert-butoxy)-2-methyl-4-oxobutanoyl)-4-(phenylmethyl)-1,3-oxazolidin-2-one

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran; water at 0℃; for 2h; Hydrolysis;	95%
With dihydrogen peroxide; lithium hydroxide In tetrahydrofuran; water at 0℃; for 2h;	88%

: 195829-02-8
(S)-3-((R)-3-tert-Butoxycarbonyl-2-methyl-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid tert-butyl ester

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water for 3h; Ambient temperature;	79%

: 908290-81-3
(4R,2'R)-3-(4'-tert-butoxy-4'-oxo-2'-methylbutanoyl)-4-iso-propyl-6,6-dimethyl-(1,3)-oxazinan-2-one

A: 908290-56-2
(R)-4-iso-propyl-6,6-dimethyl-(1,3)-oxazinan-2-one

B: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran at 0 - 20℃; for 16h;	A 16 mg B 68%

: 82701-21-1
2-(RS)-methyl-1,4-butanedioic acid 4-(1,1-dimethylethyl) 1-methyl ester

A: 182007-75-6
(S)-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid

B: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
With sodium hydroxide; Alcalase In acetone for 18h; Hydrolysis; Title compound not separated from byproducts;

: 5292-43-3
bromoacetic acid tert-butyl ester

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: KHMDS / tetrahydrofuran; toluene / 1 h / -78 °C 1.2: 74 percent / tetrahydrofuran; toluene / 2 h / -78 °C 2.1: 68 percent / aq. H2O2; LiOH / tetrahydrofuran / 16 h / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: 84 percent / NaN(SiMe3)2 / tetrahydrofuran / 3 h / -78 °C 2: 95 percent / H2O2; LiOH / tetrahydrofuran; H2O / 2 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1.1: sodium hexamethyldisilazane / tetrahydrofuran / 1 h / -78 °C 1.2: 2.5 h / -78 °C 2.1: lithium hydroxide; dihydrogen peroxide / tetrahydrofuran; water / 2 h / 0 °C View Scheme

: 144843-09-4
2-methoxycarbonyl-2-methyl-succinic acid 4-tert-butyl ester 1-methyl ester

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 33 percent / aq. lithium bromide / dimethylformamide / 8 h / 135 °C 2: alcalase; aq. NaOH / acetone / 18 h View Scheme

: 170704-11-7
2-[(R)-2-((S)-5-tert-Butoxycarbonyl-3-methyl-2-oxo-imidazolidin-1-yl)-1-methyl-2-oxo-ethyl]-malonic acid dibenzyl ester

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 97 percent / H2 / Pd/C / methanol / 3 h / Ambient temperature 2: 86 percent / dimethylsulfoxide / 1 h / 100 °C 3: 91 percent / H2SO4 / CH2Cl2 / 12 h / Ambient temperature 4: 79 percent / LiOH*H2O / tetrahydrofuran; H2O / 3 h / Ambient temperature View Scheme

: 195828-95-6
(S)-3-((R)-3-Carboxy-2-methyl-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid tert-butyl ester

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 91 percent / H2SO4 / CH2Cl2 / 12 h / Ambient temperature 2: 79 percent / LiOH*H2O / tetrahydrofuran; H2O / 3 h / Ambient temperature View Scheme

: 195828-92-3
2-[(R)-2-((S)-5-tert-Butoxycarbonyl-3-methyl-2-oxo-imidazolidin-1-yl)-1-methyl-2-oxo-ethyl]-malonic acid

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 86 percent / dimethylsulfoxide / 1 h / 100 °C 2: 91 percent / H2SO4 / CH2Cl2 / 12 h / Ambient temperature 3: 79 percent / LiOH*H2O / tetrahydrofuran; H2O / 3 h / Ambient temperature View Scheme

: 865-47-4
potassium tert-butylate

: 23268-03-3, 80986-16-9, 111266-27-4, 81025-83-4
(R)-2-methyl-succinic acid 4-methyl ester

: 185836-75-3
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid

Conditions

Conditions	Yield
With sulfuric acid In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; hexane; water; tert-butyl alcohol

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Specification

The Butanedioic acid,2-methyl-, 4-(1,1-dimethylethyl) ester, (2R)-, with the CAS registry number 185836-75-3, is also known as (R)-2-Methylsuccinic acid 4-tert-butyl ester. This chemical's molecular formula is C₉H₁₆O₄ and molecular weight is 188.2209. Its systematic name is called (2R)-4-tert-butoxy-2-methyl-4-oxobutanoic acid.

Physical properties of Butanedioic acid,2-methyl-, 4-(1,1-dimethylethyl) ester, (2R)-: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 47.008 cm³; (12)Molar Volume: 175.629 cm³; (13)Surface Tension: 35.673 dyne/cm; (14)Density: 1.072 g/cm³; (15)Flash Point: 104.694 °C; (16)Enthalpy of Vaporization: 57.305 kJ/mol; (17)Boiling Point: 281.928 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C[C@H](C(=O)O)C
(2)InChI: InChI=1/C9H16O4/c1-6(8(11)12)5-7(10)13-9(2,3)4/h6H,5H2,1-4H3,(H,11,12)/t6-/m1/s1
(3)InChIKey: RSLMNCHJSYDERN-ZCFIWIBFBC