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| CAS No.: | 261904-39-6 |
|---|---|
| Name: | (2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid |
| Article Data: | 37 |
| Molecular Structure: | |
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| Formula: | C4H7BrO3 |
| Molecular Weight: | 183.002 |
| Synonyms: | (+)-(2R)-3-Bromo-2-hydroxy-2-methylpropanoicacid;(2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid;(2R)-3-Bromo-2-hydroxy-2-methylpropionicacid; |
| Density: | 1.831 g/cm3 |
| Melting Point: | 113.0 to 117.0 °C |
| Boiling Point: | 294.474 °C at 760 mmHg |
| Flash Point: | 131.893 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/38 |
| Safety: | 26 |
| PSA: | 57.53000 |
| LogP: | 0.21690 |
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(3R,8AR)-3-Bromomethyl-3-methyl-tetrahydro-pyrrolo[2,1-c][1,4]oxazine-1,4-dione
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide for 5h; Reflux; | 91.3% |
| With hydrogen bromide In water for 1h; Heating / reflux; | 86% |
| With water; hydrogen bromide for 1h; Heating / reflux; | 86% |
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| With water; hydrogen bromide for 1h; Heating / reflux; | 85% |
| With hydrogen bromide at 105℃; for 1.5h; | 84% |
| With hydrogen bromide In water at 105℃; Temperature; Large scale; |
B
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride Hydrolysis; Heating; Title compound not separated from byproducts.; |
- 1250440-74-4
C9H15BrO3
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 4h; Reflux; Inert atmosphere; | |
| With hydrogenchloride; water for 4h; Reflux; |
- 106089-24-1
(2R)-1-methacryloylpyrrolidin-2-carboxylic acid
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: (2R)-1-methacryloylpyrrolidin-2-carboxylic acid With N-Bromosuccinimide In N,N-dimethyl-formamide Stage #2: With hydrogenchloride In water at 100℃; |
- 2993-22-8
3-pentafluorosulfuraniline
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In N,N-dimethyl acetamide at -10 - -5℃; for 3h; Inert atmosphere; Stage #2: 3-pentafluorosulfuraniline In N,N-dimethyl acetamide at 20℃; for 16h; Inert atmosphere; | 96% |
- 55338-73-3
5-amino-2-cyanopyridine
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| With thionyl chloride; trimethylamine | 92% |
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In tetrahydrofuran at 0 - 12℃; for 2.166h; Stage #2: With triethylamine In tetrahydrofuran at -5 - 12℃; for 0.333333h; Stage #3: 5-amino-2-cyanopyridine In tetrahydrofuran at 50℃; for 2h; | 85% |
- 573762-62-6
5-amino-3-(trifluoromethyl)-2-pyridinecarbonitrile
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
| Conditions | Yield |
|---|---|
| With thionyl chloride; trimethylamine | 90% |
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In tetrahydrofuran at 0 - 12℃; for 2.166h; Stage #2: With triethylamine In tetrahydrofuran at -5 - 12℃; for 0.333333h; Stage #3: 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile In tetrahydrofuran at 50℃; for 2h; | 85% |
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In tetrahydrofuran at 4℃; for 3h; Inert atmosphere; Stage #2: With triethylamine In tetrahydrofuran at 4℃; for 0.333333h; Inert atmosphere; Stage #3: 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile In tetrahydrofuran at 20℃; | 70.2% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; | 89% |
- 20925-27-3
4-amino-2-chlorobenzonitrile
- 261904-39-6
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
- 1002330-78-0
(2R)-3-bromo-N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-methylpropanamide
| Conditions | Yield |
|---|---|
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In tetrahydrofuran at 0 - 12℃; for 2.166h; Stage #2: With triethylamine In tetrahydrofuran at -5 - 12℃; for 0.333333h; Stage #3: 4-amino-2-chlorobenzonitrile In tetrahydrofuran at 50℃; for 2h; | 88.6% |
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In tetrahydrofuran at 4℃; for 3h; Inert atmosphere; Stage #2: 4-amino-2-chlorobenzonitrile With triethylamine In tetrahydrofuran at 20℃; | 73% |
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In tetrahydrofuran at 4℃; for 3h; Inert atmosphere; Stage #2: In tetrahydrofuran for 0.333333h; Inert atmosphere; Stage #3: 4-amino-2-chlorobenzonitrile In tetrahydrofuran at 20℃; Inert atmosphere; | 73% |
| Stage #1: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid With thionyl chloride In tetrahydrofuran at 4℃; for 3h; Inert atmosphere; Stage #2: 4-amino-2-chlorobenzonitrile With triethylamine In tetrahydrofuran at 20℃; | 49.4% |
| With thionyl chloride In tetrahydrofuran at 0℃; |
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Specification
The (2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid with its cas register number is 261904-39-6. It also can be called as Propanoic acid,3-bromo-2-hydroxy-2-methyl-, (2R)- and the Systematic name about this chemical is (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid.
Physical properties about (2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid are: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 57.53Å2; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 31.377 cm3; (14)Molar Volume: 99.924 cm3; (15)Polarizability: 12.439x10-24cm3; (16)Surface Tension: 59.096 dyne/cm; (17)Enthalpy of Vaporization: 61.967 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC[C@](O)(C(=O)O)C
(2)InChI: InChI=1/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m0/s1
(3)InChIKey: HBJAYXGUOOININ-BYPYZUCNBM
(4)Std. InChI: InChI=1S/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m0/s1
(5)Std. InChIKey: HBJAYXGUOOININ-BYPYZUCNSA-N