L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) ester

HCID 83589CAS 13574-13-5

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIKey
AJDUMMXHVCMISJ-ZDUSSCGKSA-N
분자식
C17H23NO6
평균 분자량
337.4 g/mol
단동위원소 질량
337.15253745

이름 및 식별자

우선 이름
L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) ester
IUPAC
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
영어명
Boc-L-Glutamic acid 5-benzylester
분자식
C17H23NO6
분자량
337.37

이름 및 동의어

L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(phenylmethyl) esterEINECS 237-007-5DTXSID40883495L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) esterN-((1,1-Dimethylethoxy)carbonyl)-L-glutamic acid, 5-(phenylmethyl) ester5-Benzyl N-((1,1-dimethylethoxy)carbonyl)-L-glutamate5-Benzyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate5-(Phenylmethyl) hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamateN-[(1,1-Dimethylethoxy)carbonyl]-L-glutamic acid, 5-(phenylmethyl) esterRefChem:796305DTXCID201023023
이름 더 보기
(S)-5-(benzyloxy)-2-((tert-butoxycarbonyl)aMino)-5-oxopentanoic acidBOC-L-GLU(OBZL)-OHBoc-Glu(Bzl)-OHBOC-CLU(OBZL)-OHBOC-L-GLU(BZL)-OHBoc-Glu(Obzl)-OH ,98%BOC-GLUTAMIC ACID(OBZL)-OHBOC-L-GLUTAMIC ACID (OBZL)
237-007-5Boc-Glu(OBzl)-OH13574-13-5Boc-L-glutamic acid 5-benzyl esterMFCD00065569Boc-L-Glutamic acid 5-benzylester5-Benzyl N-(tert-Butoxycarbonyl)-L-glutamate5-Benzyl N-Boc-L-glutamate

데이터베이스 식별자

CAS
13574-13-5
PubChem CID
83589
DTXSID
DTXSID40883495
UNII
B2P5A7TY2H
EC Number
237-007-5
Nikkaji
J239.028K

물성

구조 계산 물성

XLogP
2.2
극성 표면적
102 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
24

물리화학적 성질

녹는점
69 · 69-71 °C
끓는 점
473.68 °C · 473.68°C (rough estimate)
밀도
1.1452 · 1.1452 (rough estimate)
굴절률
-16.5 ° · -16.5 ° (C=2, DMF)
저장 조건
2 · 2-8°C
용해도
N,N-디메틸 포름아미드에 용해됩니다.

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.;There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%);Eye Irrit. 2 (33.3%);STOT SE 3 (33.3%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29242990
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationL-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(phenylmethyl) ester: ACTIVE

응용 분야

용도N-Boc-L-glutamic acid 5-benzyl ester is used as a pharmaceutical intermediate.

공급사50 곳

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

관련 반응

27건

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