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CAS No.: | 185836-75-3 |
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Name: | (R)-2-METHYLSUCCINIC ACID 4-TERT-BUTYL ESTER |
Article Data: | 8 |
Molecular Structure: | |
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 |
(4S)-3-((2R)-4-(tert-butoxy)-2-methyl-4-oxobutanoyl)-4-(phenylmethyl)-1,3-oxazolidin-2-one
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
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% |
(S)-3-((R)-3-tert-Butoxycarbonyl-2-methyl-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid tert-butyl ester
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran; water for 3h; Ambient temperature; | 79% |
(4R,2'R)-3-(4'-tert-butoxy-4'-oxo-2'-methylbutanoyl)-4-iso-propyl-6,6-dimethyl-(1,3)-oxazinan-2-one
A
(R)-4-iso-propyl-6,6-dimethyl-(1,3)-oxazinan-2-one
B
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
Conditions | Yield |
---|---|
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran at 0 - 20℃; for 16h; | A 16 mg B 68% |
2-(RS)-methyl-1,4-butanedioic acid 4-(1,1-dimethylethyl) 1-methyl ester
A
(S)-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid
B
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; Alcalase In acetone for 18h; Hydrolysis; Title compound not separated from byproducts; |
bromoacetic acid tert-butyl ester
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
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 |
2-methoxycarbonyl-2-methyl-succinic acid 4-tert-butyl ester 1-methyl ester
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
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 |
2-[(R)-2-((S)-5-tert-Butoxycarbonyl-3-methyl-2-oxo-imidazolidin-1-yl)-1-methyl-2-oxo-ethyl]-malonic acid dibenzyl ester
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
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 |
(S)-3-((R)-3-Carboxy-2-methyl-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid tert-butyl ester
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
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 |
2-[(R)-2-((S)-5-tert-Butoxycarbonyl-3-methyl-2-oxo-imidazolidin-1-yl)-1-methyl-2-oxo-ethyl]-malonic acid
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
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 |
potassium tert-butylate
(R)-2-methyl-succinic acid 4-methyl ester
(R)-3-tert-butyloxycarbonyl-2-methylpropanoic acid
Conditions | Yield |
---|---|
With sulfuric acid In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; hexane; water; tert-butyl alcohol |
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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