80126-54-1 (2-甲基-D-苯丙氨酸,(R)-2-Amino-3-(o-tolyl)propanoic acid)

快速询单

结构式：

2-甲基-D-苯丙氨酸MOL文件

CAS号：

80126-54-1

中文名称：

2-甲基-D-苯丙氨酸

英文名称：

(R)-2-Amino-3-(o-tolyl)propanoic acid

分子式：

C₁₀H₁₃NO₂

分子量：

179.215722799301

2-甲基-D-苯丙氨酸(80126-54-1)名称与标识符

名称

中文别名：

2-甲基-D-苯丙氨酸;D-2-甲基苯丙氨酸;

英文别名：

(R)-2-Amino-3-(o-tolyl)propanoic acid;2-Methyl-D-phenylalanine;2-Methylphenyl-D-alanine;D-2-Methylphe;D-2-METHYLPHENYLALANINE;D-phe(2-Me)-OH;o-Methyl-D-phenylalanine;(2R)-2-Amino-3-(2-methylphenyl)propanoic acid;D-2-Methyl Phenylalanine;DTXSID301313334;(R)-2-AMINO-3-O-TOLYLPROPANOIC ACID;(2R)-2-azaniumyl-3-(2-methylphenyl)propanoate;H-O-ME-D-PHE-OH;D-Phenylalanine, 2-methyl-;PS-12170;H-D-PHE(2-ME)-OH;AM83410;2-Methy-D-Phenylalanine;MFCD01860870;CS-0152968;AC-5867;A839847;80126-54-1;D-2-Methylphenylalanine (H-D-Phe(2-Me)-OH);AKOS016843584;SCHEMBL383453;EN300-1298518;2-Methyl-D-phenylalanine (ACI);(R)-2-Amino-3-(o-tolyl)propanoicacid;(R)-2-Amino-3-o-tolylpropionic acid;D-2′-Methylphenylalanine;

标识符

MDL：

MFCD01860870

InChIKey：

NHBKDLSKDKUGSB-SECBINFHSA-N

Inchi：

1S/C10H13NO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1

SMILES：

C(C1C=CC=CC=1C)[C@@H](N)C(=O)O

2-甲基-D-苯丙氨酸(80126-54-1)物化性质

实验特性

LogP : 1.95300
PSA : 49.33000
折射率 : 1.561
沸点 : 326.2°C at 760 mmHg
闪点 : 151.1 °C
密度 : 1.165

计算特性

精确分子量 : 179.09500
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 : 179.095
重原子数量 : 13
复杂度 : 182
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） : _1.2
拓扑分子极性表面积 : 63.3A^2

2-甲基-D-苯丙氨酸(80126-54-1)安全信息

2-甲基-D-苯丙氨酸(80126-54-1)海关数据

海关编码：

2922499990

海关数据：

中国海关编码：

2922499990

概述：

2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件：

A.入境货物通关单
B.出境货物通关单

检验检疫类别：

P.进境动植物、动植物产品检疫
Q.出境动植物、动植物产品检疫
R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary：

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

2-甲基-D-苯丙氨酸(80126-54-1)推荐厂家更多厂家(34)

公司名称	手机号/电话	联系人	QQ	询单
山东玖玥生物科技有限公司	15553333686	张文杰	643971	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
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
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
湖北健楚生物医药有限公司	13477033894 027-65528557	王经理	3821225285	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单

2-甲基-D-苯丙氨酸(80126-54-1)合成路线

合成路线：1 步

80126-53-0

_83%

80126-54-1

反应条件：

1.1 Reagents: Ammonium chloride Catalysts: Glucose dehydrogenase , L-Amino acid dehydrogenase , D-Amino acid dehydrogenase Solvents: Water ; 24 h, pH 9, rt

参考文献：

Single-Biocatalyst Synthesis of Enantiopure D-Arylalanines Exploiting an Engineered D-Amino Acid Dehydrogenase

Parmeggiani, Fabio; et al, Advanced Synthesis & Catalysis, 2016, 358(20), 3298-3306

合成路线：1 步

61676-24-2

_61%

80126-54-1

反应条件：

1.1 Reagents: Ammonium chloride Catalysts: Glucose dehydrogenase , D-Amino acid dehydrogenase Solvents: Methanol , Water ; 24 h, pH 9, rt
1.2 Reagents: Sulfuric acid Solvents: Water ; < pH 2, rt

参考文献：

Single-Biocatalyst Synthesis of Enantiopure D-Arylalanines Exploiting an Engineered D-Amino Acid Dehydrogenase

Parmeggiani, Fabio; et al, Advanced Synthesis & Catalysis, 2016, 358(20), 3298-3306

合成路线：1 步

114872-78-5

80126-54-1

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：1 步

114872-93-4

80126-54-1

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：1 步

115280-71-2

80126-54-1

反应条件：

1.1 Catalysts: Dihydropyrimidinase Solvents: Dimethyl sulfoxide , Water ; 72 h, pH 9, 42 °C
1.2 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 6 h, pH 2 - 3, 0 °C

参考文献：

Unnatural D-amino acids as building blocks of new peptidomimetics

Latacz, Gniewomir; et al, Acta Poloniae Pharmaceutica, 2006, 63(5), 430-433

合成路线：2 步

100223-10-7

80126-54-1

反应条件：

1.1 Reagents: Acetonitrile , Sodium hydroxide , Chymotrypsin Solvents: Acetonitrile , Water
2.1 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：2 步

115280-70-1

80126-54-1

反应条件：

1.1 Reagents: Phosphorus , Hydrogen iodide Solvents: Water ; 0.5 h, reflux
2.1 Catalysts: Dihydropyrimidinase Solvents: Dimethyl sulfoxide , Water ; 72 h, pH 9, 42 °C
2.2 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 6 h, pH 2 - 3, 0 °C

参考文献：

Unnatural D-amino acids as building blocks of new peptidomimetics

Latacz, Gniewomir; et al, Acta Poloniae Pharmaceutica, 2006, 63(5), 430-433

合成路线：2 步

192319-66-7

80126-54-1

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Water ; 4 - 24 h, 140 °C
2.1 Reagents: Ammonium chloride Catalysts: Glucose dehydrogenase , D-Amino acid dehydrogenase Solvents: Methanol , Water ; 24 h, pH 9, rt
2.2 Reagents: Sulfuric acid Solvents: Water ; < pH 2, rt

参考文献：

Single-Biocatalyst Synthesis of Enantiopure D-Arylalanines Exploiting an Engineered D-Amino Acid Dehydrogenase

Parmeggiani, Fabio; et al, Advanced Synthesis & Catalysis, 2016, 358(20), 3298-3306

合成路线：2 步

543-24-8

529-20-4

80126-54-1

反应条件：

1.1 Reagents: Acetic anhydride , Sodium acetate ; 4 h, 120 °C; 120 °C → rt
1.2 Solvents: Water ; 30 min, 0 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; 4 - 24 h, 140 °C
2.1 Reagents: Ammonium chloride Catalysts: Glucose dehydrogenase , D-Amino acid dehydrogenase Solvents: Methanol , Water ; 24 h, pH 9, rt
2.2 Reagents: Sulfuric acid Solvents: Water ; < pH 2, rt

参考文献：

Single-Biocatalyst Synthesis of Enantiopure D-Arylalanines Exploiting an Engineered D-Amino Acid Dehydrogenase

Parmeggiani, Fabio; et al, Advanced Synthesis & Catalysis, 2016, 358(20), 3298-3306

合成路线：2 步

80102-28-9

80126-54-1

反应条件：

1.1 Reagents: Sodium hydroxide , Carboxypeptidase A Solvents: Water
2.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：3 步

22888-51-3

80126-54-1

反应条件：

1.1 Reagents: Trifluoroacetic anhydride Solvents: Trifluoroacetic acid
2.1 Reagents: Sodium hydroxide , Carboxypeptidase A Solvents: Water
3.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：3 步

529-20-4

461-72-3

80126-54-1

反应条件：

1.1 Reagents: Ammonium acetate ; 1 min, heated; 0.5 min, cooled; heated
1.2 Reagents: Acetic acid Solvents: Water ; 0.5 h, reflux; cooled; overnight, 4 °C
2.1 Reagents: Phosphorus , Hydrogen iodide Solvents: Water ; 0.5 h, reflux
3.1 Catalysts: Dihydropyrimidinase Solvents: Dimethyl sulfoxide , Water ; 72 h, pH 9, 42 °C
3.2 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 6 h, pH 2 - 3, 0 °C

参考文献：

Unnatural D-amino acids as building blocks of new peptidomimetics

Latacz, Gniewomir; et al, Acta Poloniae Pharmaceutica, 2006, 63(5), 430-433

合成路线：3 步

5463-90-1

80126-54-1

反应条件：

1.1 Reagents: Methanol , Thionyl chloride Solvents: Methanol
2.1 Reagents: Acetonitrile , Sodium hydroxide , Chymotrypsin Solvents: Acetonitrile , Water
3.1 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：4 步

380-71-2

80126-54-1

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane , Water
2.1 Reagents: Methanol , Thionyl chloride Solvents: Methanol
3.1 Reagents: Acetonitrile , Sodium hydroxide , Chymotrypsin Solvents: Acetonitrile , Water
4.1 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：4 步

5440-53-9

80126-54-1

反应条件：

1.1 Reagents: Hydrogen bromide Solvents: Water
2.1 Reagents: Trifluoroacetic anhydride Solvents: Trifluoroacetic acid
3.1 Reagents: Sodium hydroxide , Carboxypeptidase A Solvents: Water
4.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：5 步

1068-90-2

89-92-9

80126-54-1

反应条件：

1.1 Reagents: Sodium ethoxide Solvents: Ethanol
1.2 Solvents: Ethanol
1.3 Reagents: 2-Fluorobenzyl bromide
2.1 Reagents: Hydrogen bromide Solvents: Water
3.1 Reagents: Trifluoroacetic anhydride Solvents: Trifluoroacetic acid
4.1 Reagents: Sodium hydroxide , Carboxypeptidase A Solvents: Water
5.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water

参考文献：

Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans

Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

合成路线：1 步

22888-51-3

80126-54-1

2373-76-4

反应条件：

1.1 Catalysts: Phenylalanine ammonia-lyase Solvents: Water ; 16 h, pH 8.8, 30 °C
1.2 Reagents: Methanol

参考文献：

Mapping the Hydrophobic Substrate Binding Site of Phenylalanine Ammonia-Lyase from Petroselinum crispum

Nagy, Emma Z. A.; et al, ACS Catalysis, 2019, 9(9), 8825-8834

合成路线：2 步

5463-90-1

80126-54-1

2373-76-4

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: 1,4-Dioxane , Water ; 4 h, reflux
2.1 Catalysts: Phenylalanine ammonia-lyase Solvents: Water ; 16 h, pH 8.8, 30 °C
2.2 Reagents: Methanol

参考文献：

Mapping the Hydrophobic Substrate Binding Site of Phenylalanine Ammonia-Lyase from Petroselinum crispum

Nagy, Emma Z. A.; et al, ACS Catalysis, 2019, 9(9), 8825-8834

合成路线：3 步

5440-53-9

80126-54-1

2373-76-4

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Methanol , Water ; 4 - 6 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, -10 °C
1.3 Solvents: Toluene ; 16 - 24 h, reflux
2.1 Reagents: Hydrochloric acid Solvents: 1,4-Dioxane , Water ; 4 h, reflux
3.1 Catalysts: Phenylalanine ammonia-lyase Solvents: Water ; 16 h, pH 8.8, 30 °C
3.2 Reagents: Methanol

参考文献：

Mapping the Hydrophobic Substrate Binding Site of Phenylalanine Ammonia-Lyase from Petroselinum crispum

Nagy, Emma Z. A.; et al, ACS Catalysis, 2019, 9(9), 8825-8834