Tert-butoxycarbonylalanine (HCID 85082)

개요

N-Boc-L-alanine is an alanine derivative.

이름 및 식별자

우선 이름: Tert-butoxycarbonylalanine
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
영어명: N-(tert-Butoxycarbonyl)-L-alanine
분자식: C8H15NO4
분자량: 189.21

이름 및 동의어

BOC-ALAtert-butoxycarbonylalaninet-BA amino acidRefChem:408453tert-butoxycarbonyl-alanine15761-38-3Boc-Ala-OHBoc-l-alanineN-(tert-Butoxycarbonyl)-L-alanineBoc-L-Ala-OHN-Boc-L-alanine(tert-Butoxycarbonyl)-l-alanine

이름 더 보기

L-Boc-alanineBOC-L-ALAN-(T-BUTOXYCARBONYL)-L-ALANINEN-ALPHA-T-BOC-L-ALANINE

MFCD00037225alanine, N-[(1,1-dimethylethoxy)carbonyl]-(tert-Butoxycarbonyl)alanineN-t-Boc-L-alanine(S)-2-((tert-Butoxycarbonyl)amino)propanoic acidBOC-ALANINE(2S)-2-{[(tert-butoxy)carbonyl]amino}propanoic acidN-tert-Boc-L-alanine

데이터베이스 식별자

CAS: 15761-38-3
PubChem CID: 85082
DTXSID: DTXSID40884846
ChEMBL: CHEMBL5440826
ChEBI: CHEBI:231584
UNII: VBSZA1BT4G
EC Number: 239-847-8
Nikkaji: J208.111C

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 79 · 79-83 °C(lit.)
끓는 점: 324.46 °C · 324.46°C (rough estimate)
밀도: 1.2321 · 1.2321 (rough estimate)
굴절률: -25.5 ° · -25.5 ° (C=2, AcOH)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: DMSO및메탄올에 용해됨
물리적 상태: 과립분말
산도 계수 (pKa): 4.02 · 4.02±0.10(Predicted)
색상: 하얀색
BRN: 1726365 · 1726365
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKey: QVHJQCGUWFKTSE-YFKPBYRVSA-N
SMILES: C(O)(=O)[C@H](C)NC(OC(C)(C)C)=O
EPA: L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]- (15761-38-3)

화학적 성질

White to off-white microcrystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (6 of 9) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 09-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31311

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2924 19 00
risk_code: 20/21/22-36/37/38
hazard_code: Xi,Xn
safety_code: 24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationL-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-: ACTIVE

응용 분야 · 1건

용도Boc-Ala-OH can be used: In the preparation of N-propargylalanine, a key precursor to generate N-(3-aryl)propylated alanine residues.In the resolution of racemic mixture of 3,3′-bis(benzyloxy)-1,1′-binaphthalene-2,2′-diol.In the one-pot synthesis of hybrid tripeptidomimetics containing both amide and imide functionalities.

상·하류 제품 정보

상류 원료

4-Mercaptophenol TERT-부틸1,2,2,2-테트라클로로에틸탄산염)Boc-Ala-OtBu Boc-L-alanine methyl ester tert-부틸알코올 L-알라닌 tert-부틸아지도포르메이트

하류 제품

사이클로(-ALA-ALA)카르밤산,아세틸-,1,1-디메틸에틸에스테르(9CI)(S)-4-메틸-2,5-옥사졸리딘디온 (S)-tert-Butyl 1-oxo-1-(2-(pyridin-2-yl)hydrazinyl)propan-2-ylcarbamate Carbamic acid, [2-[bis(phenylmethyl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)- (9CI)Carbamic acid, N-[(1S)-2-(3-methoxyphenyl)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester Carbamic acid, N-[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)-1-methylethyl]-, 1,1-dimethylethyl ester BOC-THIONOALA-1-(6-NITRO)벤조트리아졸라이드 Carbamic acid, N-[2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

연결된 노트

불러오는 중…

Tert-butoxycarbonylalanine

기본 정보

개요