80994-59-8 ((Borofalan-)

快速询单

结构式：

Borofalan-MOL文件

CAS号：

80994-59-8

英文名称：

Borofalan-

分子式：

C₉H₁₂BNO₄

分子量：

208.208819389343

Borofalan-(80994-59-8)名称与标识符

名称

英文别名：

L-Phenylalanine,4-(borono-10B)-;10BenrichedL-4-boronophenylalanine,GMPBPA;Borofalan-;4-(Borono-10B)-L-phenylalanine (ACI);(10B)-4-Borono-L-phenylalanine;L-(p-[10B]Boronophenyl)alanine;L-4-[10B]Boronophenylalanine;Borofalan (10b);p-[10B]Borono-L-phenylalanine;Boron B 10 BPA;DTXSID30230833;CHEMBL5220660;UNII-963AI80S1B;borofalan ((1)B) [INN];L-4-(10B)Boronophenylalanine;963AI80S1B;SPM-011;Boron B 10-condensed Boronophenylalanine;D11272;SPM011;L-p BORONPHENYLALANINE BORON-10;borofalan-(10b);4-[(10B)Borono]-L-phenylalanine;G82905;EX-A4333;BOROFALAN (10B) [JAN];AKOS040748045;4-((10B)Borono)-L-phenylalanine;Boron B 10 Boronophenylalanine;BOROFALAN B-10;borofalanum (10B);BOROFALAN (10B) [INN];80994-59-8;L-Phenylalanine, 4-(borono-10B)-;DTXCID60153324;4-Borono-l-phenylalanine b10 enriched;(S)-2-AMINO-3-(4-(BORONO-10B)PHENYL)PROPANOIC ACID;Boronophenylalanine B-10;Q27271853;P-(10B)Borono-L-phenylalanine;Borofalan(10B);BOROFALAN (10B) [WHO-DD];L-(p-(10B)Boronophenyl)alanine;4-(Borono-10B)-L-phenylalanine;SPM 011;DA-59826;(2S)-2-amino-3-(4-(10B)dihydroxy(10B)phenyl)propanoic acid;Borofalan (10B) (JAN);

标识符

InChIKey：

NFIVJOSXJDORSP-ULMHTEDTSA-N

Inchi：

1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1/i10-1

SMILES：

C(C1C=CC([10B](O)O)=CC=1)[C@H](N)C(=O)O

Borofalan-(80994-59-8)物化性质

计算特性

精确分子量 : 208.0895697g/mol
氢键供体数量 : 4
氢键受体数量 : 5
可旋转化学键数量 : 4
同位素质量 : 208.0895697g/mol
重原子数量 : 15
复杂度 : 216
同位素原子数量 : 1
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
拓扑分子极性表面积 : 104Å²

Borofalan-(80994-59-8)推荐厂家更多厂家(14)

公司名称	手机号/电话	联系人	QQ	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
上海绩祥生物科技有限公司	18605105771	李经理	1799924424	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
江苏雷恩环保科技有限公司	18662920632 0513-66017275	费小姐	3485543679	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
上海柯维化学技术有限公司	18901607656 021-64609169	白荷	3428632096	询单
南通润丰石油化工有限公司	19952847550 0513-66017696	曹海燕	2143087160	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
天成化工（江苏）有限公司	15251950002 0512-83500002	陈小姐		询单

Borofalan-(80994-59-8)合成路线

合成路线：1 步

1043926-52-8

_83%

80994-59-8

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Water ; 17 h, 80 °C
1.2 Reagents: (±)-Propylene oxide Solvents: Isopropanol ; 14 h, rt

参考文献：

Development of the first and practical method for enantioselective synthesis of 10B-enriched p-borono-L-phenylalanine

Hattori, Yoshihide; et al, Tetrahedron Letters, 2008, 49(33), 4977-4980

合成路线：2 步

1043926-51-7

80994-59-8

反应条件：

1.1 Reagents: Sulfuric acid Solvents: Tetrahydrofuran , Water ; 2 h, rt
2.1 Reagents: Hydrochloric acid Solvents: Water ; 17 h, 80 °C
2.2 Reagents: (±)-Propylene oxide Solvents: Isopropanol ; 14 h, rt

参考文献：

Development of the first and practical method for enantioselective synthesis of 10B-enriched p-borono-L-phenylalanine

Hattori, Yoshihide; et al, Tetrahedron Letters, 2008, 49(33), 4977-4980

合成路线：3 步

56877-38-4

1043926-50-6

80994-59-8

反应条件：

1.1 Reagents: Zinc Catalysts: 1,2-Dibromoethane Solvents: Dimethylformamide ; 30 min, 90 °C
1.2 Catalysts: Chlorotrimethylsilane ; rt; 30 min, rt
1.3 Solvents: Dimethylformamide ; rt; 1.5 h, 35 °C
1.4 Catalysts: Tri-o-tolylphosphine , Tris(dibenzylideneacetone)dipalladium ; 12 h, rt
2.1 Reagents: Sulfuric acid Solvents: Tetrahydrofuran , Water ; 2 h, rt
3.1 Reagents: Hydrochloric acid Solvents: Water ; 17 h, 80 °C
3.2 Reagents: (±)-Propylene oxide Solvents: Isopropanol ; 14 h, rt

参考文献：

Development of the first and practical method for enantioselective synthesis of 10B-enriched p-borono-L-phenylalanine

Hattori, Yoshihide; et al, Tetrahedron Letters, 2008, 49(33), 4977-4980

合成路线：4 步

1676-81-9

80994-59-8

反应条件：

1.1 Reagents: Imidazole , Triphenylphosphine , Iodine Solvents: Dichloromethane ; 30 min, 0 °C; 1 h, rt
1.2 Solvents: Dichloromethane ; rt; 5 h, rt
2.1 Reagents: Zinc Catalysts: 1,2-Dibromoethane Solvents: Dimethylformamide ; 30 min, 90 °C
2.2 Catalysts: Chlorotrimethylsilane ; rt; 30 min, rt
2.3 Solvents: Dimethylformamide ; rt; 1.5 h, 35 °C
2.4 Catalysts: Tri-o-tolylphosphine , Tris(dibenzylideneacetone)dipalladium ; 12 h, rt
3.1 Reagents: Sulfuric acid Solvents: Tetrahydrofuran , Water ; 2 h, rt
4.1 Reagents: Hydrochloric acid Solvents: Water ; 17 h, 80 °C
4.2 Reagents: (±)-Propylene oxide Solvents: Isopropanol ; 14 h, rt

参考文献：

Development of the first and practical method for enantioselective synthesis of 10B-enriched p-borono-L-phenylalanine

Hattori, Yoshihide; et al, Tetrahedron Letters, 2008, 49(33), 4977-4980

合成路线：4 步

624-38-4

479-27-6

80994-59-8

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; -78 °C; 30 min, -78 °C
1.2 Reagents: Boric acid (H310BO3) trimethyl ester ; -78 °C; 5 h, -78 °C
1.3 Solvents: Tetrahydrofuran ; 12 h, rt
2.1 Reagents: Zinc Catalysts: 1,2-Dibromoethane Solvents: Dimethylformamide ; 30 min, 90 °C
2.2 Catalysts: Chlorotrimethylsilane ; rt; 30 min, rt
2.3 Solvents: Dimethylformamide ; rt; 1.5 h, 35 °C
2.4 Catalysts: Tri-o-tolylphosphine , Tris(dibenzylideneacetone)dipalladium ; 12 h, rt
3.1 Reagents: Sulfuric acid Solvents: Tetrahydrofuran , Water ; 2 h, rt
4.1 Reagents: Hydrochloric acid Solvents: Water ; 17 h, 80 °C
4.2 Reagents: (±)-Propylene oxide Solvents: Isopropanol ; 14 h, rt

参考文献：

Development of the first and practical method for enantioselective synthesis of 10B-enriched p-borono-L-phenylalanine

Hattori, Yoshihide; et al, Tetrahedron Letters, 2008, 49(33), 4977-4980