tert-butyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

HCID 11075654

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 88790-37-8
표준 SMILES: COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIKey: LZYBAKVGAMQFLJ-VIFPVBQESA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol

이름 및 식별자

우선 이름: tert-butyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
영어명: METHYL (2S)-PYRROLIDIN-2-YLACETATE
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

TERT-BUTYL (2S)-2-(2-METHOXY-2-OXOETHYL)PYRROLIDINE-1-CARBOXYLATERefChem:891687886-269-288790-37-8(2S)-1-(tert-Butoxycarbonyl)pyrrolidine-2-acetic acid methyl ester(2S)-tert-Butyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylate(2S)-tert-Butyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylateSCHEMBL1779025LZYBAKVGAMQFLJ-VIFPVBQESA-NMFCD129124632-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester,(2S)-BS-33016

이름 더 보기

Methyl (2S)-2-pyrrolidinylacetate(S)-METHYL 2-(PYRROLIDIN-2-YL)ACETATE(S)-1-Boc-2-(2-methoxy-2-oxoethyl)pyrrolidinetert-butyl (S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylatetert-Butyl (s)-2-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylate(S)-tert-Butyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylate(S)-tert-butyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylateMethyl (2S)-1-[(1,1-dimethylethoxy)carbonyl]-2-pyrrolidineacetate

EN300-7406532(2S)-1-Boc-2-(2-methoxy-2-oxoethyl)pyrrolidinetert-butyl (2S)-2-(2-methoxy-2-oxo-ethyl)pyrrolidine-1-carboxylatetert-Butyl (2S)-2-(2-methoxy-2-oxoethyl)-1-pyrrolidinecarboxylate(S)-2-Methoxycarbonylmethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 88790-37-8
PubChem CID: 11075654
EC Number: 886-269-2
Nikkaji: J998.827K

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 295

물리화학적 성질

끓는 점: 304.8 · 304.8±15.0 °C(Predicted)
밀도: 1.083 · 1.083±0.06 g/cm3(Predicted)
산도 계수 (pKa): -2.51 · -2.51±0.40(Predicted)

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

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

공급사12 곳

南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]

苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]

海济医药科技（苏州）有限公司18012778619 · [email protected]

成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]

苏州艾瑞缇克生物科技有限公司18168183658 · [email protected]

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