L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-

HCID 90234CAS 23680-31-1

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O
InChIKey: DMBKPDOAQVGTST-LBPRGKRZSA-N
분자식: C15H21NO5
평균 분자량: 295.33 g/mol
단동위원소 질량: 295.14197277

이름 및 식별자

우선 이름: L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid
영어명: N-BOC-O-Benzyl-L-serine
분자식: C15H21NO5
분자량: 295.33

이름 및 동의어

N-((1,1-Dimethylethoxy)carbonyl)-O-(phenylmethyl)-L-serineL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-serineDTXSID70885240L-Serine, N-((1,1-dimethylethoxy)carbonyl)-O-(phenylmethyl)-RefChem:797673DTXCID201024633245-820-1Boc-Ser(Bzl)-OH23680-31-1Boc-O-benzyl-L-serineN-Boc-O-benzyl-L-serine

이름 더 보기

BOC-SER-OTBUBOC-1-SER-OHBOC-SER(BU)-OHBoc-Ser(Bz1)-OHBOC-SER(TBU)-OHBOC-SER(BUT)-OHBoc-Ser(Bzl)-0HBOC-Ser (Obzl) OH

(S)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD00066063o-benzyl-n-(tert-butoxycarbonyl)-l-serineN-(tert-Butoxycarbonyl)-O-benzyl-L-serineN-tert-Butoxycarbonyl-O-benzyl-L-serineO-Benzyl-N-tert-butyloxycarbonylserineAlanine, 3-(benzyloxy)-N-carboxy-, N-tert-butyl ester, L-(2S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

데이터베이스 식별자

CAS: 23680-31-1
PubChem CID: 90234
DTXSID: DTXSID70885240
ChEMBL: CHEMBL4958658
EC Number: 245-820-1
Nikkaji: J242.646C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 21
형식 전하: 0
복잡도: 344

물리화학적 성질

녹는점: 58 · 58-60 °C(lit.)
끓는 점: 437.02 °C · 437.02°C (rough estimate)
밀도: 1.1454 · 1.1454 (rough estimate)
굴절률: 22 ° · 22 ° (C=2, EtOH)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: 고체
산도 계수 (pKa): 3.53 · 3.53±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 3064461 · 3064461
주요 응용: 펩타이드 합성
InChI: 1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey: DMBKPDOAQVGTST-LBPRGKRZSA-N
SMILES: CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(O)=O
EPA: N-tert-Butoxycarbonyl-O-benzyl-L-serine (23680-31-1)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2924 29 70
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-: ACTIVE

상·하류 제품 정보

상류 원료

하류 제품

Alanine, 3-(benzyloxy)-N-carboxy-, di-tert-butyl ester (7CI)L-세린(벤질에테르)에틸에스테르HCL BOC-O-BENZYL-L-SERINEN,O-디메틸하이드록사미드

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]

Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

연결된 노트

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