BOC-ABU-OH

Base Information

• Chemical Name: BOC-ABU-OH
• CAS No.: 34306-42-8
• Molecular Formula: C9H17NO4
• Molecular Weight: 203.238
• Hs Code.: 29241990
• European Community (EC) Number: 696-164-1
• DSSTox Substance ID: DTXSID20373147
• Nikkaji Number: J1.444.198K
• Wikidata: Q72447911
• Mol file: 34306-42-8.mol

Synonyms:Butanoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-;Butyric acid,2-(carboxyamino)-, N-tert-butyl ester, L- (8CI);(2S)-2-(tert-Butoxycarbonylamino)butanoic acid;(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid;(S)-2-(((tert-Butoxy)carbonyl)amino)butanoic acid;(S)-2-(tert-Butoxycarbonylamino)butyric acid;2-(2S)-[(tert-Butoxycarbonyl)amino]butyricacid;BOC-L-a-Aminobutyricacid;N-(tert-Butoxycarbonyl) 2(S)-aminobutyric acid;N-tert-Butoxycarbonyl-L-a-aminobutanoic acid;NSC 335382;

Chemical Property of BOC-ABU-OH

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 2.42E-05mmHg at 25°C
• Melting Point: 70-74 °C
• Refractive Index: 1.46
• Boiling Point: 334.5 °C at 760mmHg
• PKA: 4.00±0.10(Predicted)
• Flash Point: 156.1 °C
• PSA: 75.63000
• Density: 1.101 g/cm³
• LogP: 1.76520
• Storage Temp.: Store at 0-5°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Boc-L-alpha-aminobutyric acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 4-7-28-35-44

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
• Uses: It is employed as a intermediate for pharmaceutical.

Technology Process of BOC-ABU-OH

There total 36 articles about BOC-ABU-OH which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

L-2-aminobutyric acid (1492-24-6) + di-tert-butyl dicarbonate (24424-99-5) → Boc-Abu (34306-42-8)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; tert-butyl alcohol;

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-aminobutanoic acid (2835-81-6) → N-(tert-butoxycarbonyl)-2(S)-aminobutyric acid (77284-64-1,34306-42-8,45121-22-0,52881-98-8)

Guidance literature:

With sodium hydrogencarbonate; In methanol; water; at 20 ℃;

Reference yield: 100.0%

L-2-aminobutyric acid (1492-24-6) → Boc-Abu (34306-42-8)

Guidance literature:

With 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile; triethylamine; In water; acetone; for 4h; Ambient temperature;

DOI:10.1021/jo00297a039

upstream raw materials:

di-tert-butyl dicarbonate

2-aminobutanoic acid

2-aminobutyric acid hydrochloride

L-2-aminobutyric acid

Downstream raw materials:

((S)-1-Benzylcarbamoyl-propyl)-carbamic acid tert-butyl ester

(S)-methyl 2-(((tert-butoxy)carbonyl)amino)butanoate

(S)-2,5-dioxopyrrolidin-1-yl 2-((tert-butoxycarbonyl)amino)butanoate

(R)-1-{(2S,3S)-2-[[(S)-2-((S)-2-tert-Butoxycarbonylamino-butyrylamino)-3-phenyl-propyl]-(2-nitro-benzenesulfonyl)-amino]-3-methyl-pentanoyl}-pyrrolidine-2-carboxylic acid tert-butyl ester

Refernces

• 1、 Bahn, Yong-Sun,Cheong, Eunji,Choi, Ji Won,Jang, Bo Ko,Kim, Dahee,Kim, Hyeon Jeong,Kim, Hyeon Ji,Kim, Siwon,Lee, Dong-Gi,Lee, Jong-Seung,Lee, Kyung-Tae,Lee, Myung Ha,Lee, Ye Rim,Park, Jong-Hyun,Park, Ki Duk,Park, Sun Jun,Seo, Kyung Jin,Yeon, Seul Ki. "Optimization and Evaluation of Novel Antifungal Agents for the Treatment of Fungal Infection". supporting information. p. 15912 - 15935. Retrieved 2021/11/10.
• 2、 Silva, Marcus V. de M.,Costa, Ingrid C. R.,de Souza, Rodrigo O. M. A.,Bornscheuer, Uwe T.. "Biocatalytic Cascade Reaction for the Asymmetric Synthesis of L- and D-Homoalanine". . p. 407 - 411. Retrieved 2018/11/01.