88319-43-1 ((R)-2-氨基-4,4-二甲基戊酸,(2R)-2-amino-4,4-dimethylpentanoic acid)

快速询单

结构式：

(R)-2-氨基-4,4-二甲基戊酸MOL文件

CAS号：

88319-43-1

中文名称：

(R)-2-氨基-4,4-二甲基戊酸

英文名称：

(2R)-2-amino-4,4-dimethylpentanoic acid

分子式：

C₇H₁₅NO₂

分子量：

145.199502229691

(R)-2-氨基-4,4-二甲基戊酸(88319-43-1)名称与标识符

名称

中文别名：

(R)-2-氨基-4,4-二甲基戊酸;3-叔丁基-D-β-丙氨酸;(R)-3-氨基-4,4-二甲基戊酸;D-叔丁基丙氨酸;

英文别名：

(R)-2-Amino-4,4-dimethylpentanoic acid;3-tertbutyl-D-β-alanine;BETA-T-BUTYL-D-ALANINE;D-Neopentylglycine;H-D-NptGly-OH;H-β-tBu-D-Ala-OH;Pentanoic acid,2-amino-4,4-dimethyl-, (2R)-;β-tert-Butyl-D-alanine;H-D-beta-tbu-Ala-OH;4-Methyl-D-leucine;(2R)-2-amino-4,4-dimethylpentanoic acid;(2R)-2-Amino-4,4-dimethylpentanoic acid (ACI);D-Leucine, 4-methyl- (9CI);(R)-2-Amino-4,4-dimethylpentanoicacid;D-tert-Butylalanine;γ-Methyl-D-leucine;AC-6597;AKOS006272330;DTXSID90426199;88319-43-1;DS-6589;3-tert-butyl-D-alanine;BETA-TERT-BUTYL-D-ALANINE;(R)-2-AMINO-4,4-DIMETHYL-PENTANOIC ACID;SCHEMBL197139;LPBSHGLDBQBSPI-RXMQYKEDSA-N;H-D-ALA(TBU)-OH;H-BETA-TBU-D-ALA-OH;H-D-tBuAla-OH;H--tBu-D-Ala-OH;CS-0053492;DB-290161;(2R)-2-amino-4,4-dimethyl-pentanoic acid;H-D-Neopentylgly-OH;H--Me-D-Leu-OH;H-D-Tba-OH;MFCD00038404;EN300-295099;D-Leucine, 4-methyl-;

标识符

MDL：

MFCD00038404

InChIKey：

LPBSHGLDBQBSPI-RXMQYKEDSA-N

Inchi：

1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1

SMILES：

[C@H](N)(C(=O)O)CC(C)(C)C

(R)-2-氨基-4,4-二甲基戊酸(88319-43-1)物化性质

实验特性

LogP : 1.53480
PSA : 63.32000
折射率 : 1.471
沸点 : 236 ºC
闪点 : 97 ºC
颜色与性状 : White to Yellow Solid
密度 : 1.016

计算特性

精确分子量 : 145.110278721g/mol
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 145.110278721g/mol
重原子数量 : 10
复杂度 : 126
同位素原子数量 : 0
确定原子立构中心数量 : 1
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -1.3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 63.3Å²

(R)-2-氨基-4,4-二甲基戊酸(88319-43-1)安全信息

(R)-2-氨基-4,4-二甲基戊酸(88319-43-1)推荐厂家更多厂家(28)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
武汉鑫伟烨化工有限公司	18502781673 18502781673	张经理	359501377	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
湖北常鑫盛化工有限公司	18971238634	吴经理	2189484023	询单

(R)-2-氨基-4,4-二甲基戊酸(88319-43-1)合成路线

合成路线：1 步

88319-42-0

_100%

88319-43-1

反应条件：

1.1 Reagents: Hydrogen bromide Solvents: Water

参考文献：

Peptides containing a neopentylglycine residue

Pospisek, Jan; et al, Collection of Czechoslovak Chemical Communications, 1987, 52(2), 514-21

合成路线：1 步

112695-98-4

_98%

88319-43-1

反应条件：

1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ; 3 h, rt
1.2 Reagents: Sodium carbonate Solvents: Water ; pH 9

参考文献：

In vitro synthesis of new cyclodepsipeptides of the PF1022-type: probing the α-D-hydroxy acid tolerance of PF1022 synthetase

Mueller, Jane; et al, ChemBioChem, 2009, 10(2), 323-328

合成路线：1 步

161633-95-0

_90%

88319-43-1

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol , Tetrahydrofuran
1.2 Reagents: Hydrochloric acid Solvents: Ethanol
1.3 Reagents: Ammonium hydroxide
1.4 Reagents: Dowex 50W Solvents: Water

参考文献：

Asymmetric Synthesis of α-Amino Acids by Copper-Catalyzed Conjugate Addition of Grignard Reagents to Optically Active Carbamatoacrylates

Lander, Peter A.; et al, Journal of the American Chemical Society, 1994, 116(18), 8126-32

合成路线：1 步

34906-87-1

_27%

88319-43-1

反应条件：

1.1 Reagents: 2,2-Diphenylglycine Catalysts: Benzeneacetamide, N-[(R)-[4-(aminomethyl)-5-hydroxy-3-pyridinyl][1,1′-biphenyl]-… Solvents: Methanol , Water ; 3 d, 20 °C

参考文献：

A new type of chiral-pyridoxamines for catalytic asymmetric transamination of α-keto acids

Chen, Jianfeng; et al, Tetrahedron Letters, 2016, 57(41), 4612-4615

合成路线：2 步

161633-84-7

677-22-5

88319-43-1

反应条件：

1.1 Catalysts: Cuprous iodide Solvents: Tetrahydrofuran
1.2 Reagents: Methanol
2.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol , Tetrahydrofuran
2.2 Reagents: Hydrochloric acid Solvents: Ethanol
2.3 Reagents: Ammonium hydroxide
2.4 Reagents: Dowex 50W Solvents: Water

参考文献：

Asymmetric Synthesis of α-Amino Acids by Copper-Catalyzed Conjugate Addition of Grignard Reagents to Optically Active Carbamatoacrylates

Lander, Peter A.; et al, Journal of the American Chemical Society, 1994, 116(18), 8126-32

合成路线：2 步

3027-05-2

88319-43-1

反应条件：

1.1 -
2.1 Reagents: 2,2-Diphenylglycine Catalysts: Benzeneacetamide, N-[(R)-[4-(aminomethyl)-5-hydroxy-3-pyridinyl][1,1′-biphenyl]-… Solvents: Methanol , Water ; 3 d, 20 °C

参考文献：

A new type of chiral-pyridoxamines for catalytic asymmetric transamination of α-keto acids

Chen, Jianfeng; et al, Tetrahedron Letters, 2016, 57(41), 4612-4615

合成路线：3 步

反应条件：

1.1 Reagents: Trimethyltin chloride , Piperidine, 2,2,6,6-tetramethyl-, lithium salt (1:1) Solvents: Tetrahydrofuran , Hexane
1.2 Reagents: Butyllithium Solvents: Diethyl ether , Pentane , Tetrahydrofuran , Hexane
1.3 -
1.4 Reagents: Hydrochloric acid Solvents: Water
1.5 Reagents: Triethylamine Solvents: Dimethylformamide
2.1 Catalysts: Cuprous iodide Solvents: Tetrahydrofuran
2.2 Reagents: Methanol
3.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol , Tetrahydrofuran
3.2 Reagents: Hydrochloric acid Solvents: Ethanol
3.3 Reagents: Ammonium hydroxide
3.4 Reagents: Dowex 50W Solvents: Water

参考文献：

Asymmetric Synthesis of α-Amino Acids by Copper-Catalyzed Conjugate Addition of Grignard Reagents to Optically Active Carbamatoacrylates

Lander, Peter A.; et al, Journal of the American Chemical Society, 1994, 116(18), 8126-32

合成路线：3 步

161633-83-6

100-39-0

88319-43-1

反应条件：

1.1 Reagents: Triethylamine Solvents: Dimethylformamide
2.1 Catalysts: Cuprous iodide Solvents: Tetrahydrofuran
2.2 Reagents: Methanol
3.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol , Tetrahydrofuran
3.2 Reagents: Hydrochloric acid Solvents: Ethanol
3.3 Reagents: Ammonium hydroxide
3.4 Reagents: Dowex 50W Solvents: Water

参考文献：

Asymmetric Synthesis of α-Amino Acids by Copper-Catalyzed Conjugate Addition of Grignard Reagents to Optically Active Carbamatoacrylates

Lander, Peter A.; et al, Journal of the American Chemical Society, 1994, 116(18), 8126-32

合成路线：4 步

161633-82-5

124-38-9

88319-43-1

反应条件：

1.1 Reagents: Butyllithium Solvents: Diethyl ether , Pentane , Tetrahydrofuran , Hexane
1.2 -
1.3 Reagents: Hydrochloric acid Solvents: Water
2.1 Reagents: Triethylamine Solvents: Dimethylformamide
3.1 Catalysts: Cuprous iodide Solvents: Tetrahydrofuran
3.2 Reagents: Methanol
4.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol , Tetrahydrofuran
4.2 Reagents: Hydrochloric acid Solvents: Ethanol
4.3 Reagents: Ammonium hydroxide
4.4 Reagents: Dowex 50W Solvents: Water

参考文献：

Asymmetric Synthesis of α-Amino Acids by Copper-Catalyzed Conjugate Addition of Grignard Reagents to Optically Active Carbamatoacrylates

Lander, Peter A.; et al, Journal of the American Chemical Society, 1994, 116(18), 8126-32

合成路线：5 步

128947-27-3

1066-45-1

88319-43-1

反应条件：

1.1 Reagents: Piperidine, 2,2,6,6-tetramethyl-, lithium salt (1:1) Solvents: Tetrahydrofuran , Hexane
2.1 Reagents: Butyllithium Solvents: Diethyl ether , Pentane , Tetrahydrofuran , Hexane
2.2 -
2.3 Reagents: Hydrochloric acid Solvents: Water
3.1 Reagents: Triethylamine Solvents: Dimethylformamide
4.1 Catalysts: Cuprous iodide Solvents: Tetrahydrofuran
4.2 Reagents: Methanol
5.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol , Tetrahydrofuran
5.2 Reagents: Hydrochloric acid Solvents: Ethanol
5.3 Reagents: Ammonium hydroxide
5.4 Reagents: Dowex 50W Solvents: Water

参考文献：

Asymmetric Synthesis of α-Amino Acids by Copper-Catalyzed Conjugate Addition of Grignard Reagents to Optically Active Carbamatoacrylates

Lander, Peter A.; et al, Journal of the American Chemical Society, 1994, 116(18), 8126-32