1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

HCID 10868485

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 108963-96-8
표준 SMILES: COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIKey: FNTAOUUEQHKLIU-ZETCQYMHSA-N
분자식: C11H17NO5
평균 분자량: 243.26 g/mol
단동위원소 질량: 243.11067264

이름 및 식별자

우선 이름: 1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
IUPAC: 1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
영어명: Boc-L-Pyroglutamic acid methyl ester
분자식: C11H17NO5
분자량: 243.26

이름 및 동의어

1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate1-(1,1-dimethylethyl) 2-methyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylateRefChem:435108600-890-6108963-96-8Boc-L-pyroglutamic acid methyl esterMethyl Boc-L-Pyroglutamate1-TERT-BUTYL 2-METHYL (2S)-5-OXOPYRROLIDINE-1,2-DICARBOXYLATEMFCD06809720(S)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylateSCHEMBL540990Methyl (2S)-1-(tert-butoxycarbonyl)pyroglutamate

이름 더 보기

BOC-PYR-OMEBoc-L-Pyroglutanic acid methyl ester(S)-N-BOC-5-METHOXYCARBONYL-2-PYRROLIDINONEutamateBoc-pGlu-OMeBOC-L-Pyr.OmeBoc-Pyr-OMe 99%

1-(tert-butyl) 2-methyl (S)-5-oxopyrrolidine-1,2-dicarboxylateEN300-209244N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid Methyl EsterMethyl L-N-Boc-Pyroglutamate(2S)-5-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester(S)-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester(S)-1-tert-butyl 2Boc-Pyr-OMe, 97%

데이터베이스 식별자

CAS: 108963-96-8
PubChem CID: 10868485
DTXSID: DTXSID10446511
EC Number: 600-890-6
Nikkaji: J978.683J

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 72.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 344

물리화학적 성질

녹는점: 68 · 68-72 °C 69-74 °C
끓는 점: 361.6 · 361.6±35.0 °C(Predicted)
밀도: 1.209 · 1.209±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 디클로로메탄에 용해됩니다.
산도 계수 (pKa): -4.28 · -4.28±0.40(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey: FNTAOUUEQHKLIU-ZETCQYMHSA-N
SMILES: N1(C(OC(C)(C)C)=O)C(=O)CC[C@H]1C(OC)=O

화학적 성질

Light Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 30-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22552

Hazard Classes and CategoriesSkin Sens. 1 (100%)

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
HS 번호: 29337900
risk_code: 36-43-50
hazard_code: Xn,N
safety_code: 26-36/37-61
위험 등급: 9
Hazard Classifications: Eye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl (S)-1-Boc-5-oxopyrrolidine-2-carboxylate in medicine, pharmacy, cosmetics, and industrial, artificial flavoring and fragrance agents

상·하류 제품 정보

상류 원료

메틸알콜 디 -Tert- 부틸 디 카보네이트 Methyl L-pyroglutamate 2-피롤리딘카르보닐클로라이드,5-옥소-,(2S)-(9CI)2-피롤리돈-5-카르복실산 L-피로글루탐 산 트리에틸아민 초산에틸 4-다이메틸아미노피리딘

하류 제품

tert-부틸(S)-1-(메톡시카르보닐)-4-(4-(벤질옥시)페닐)-4-옥소부틸카르바메이트

공급사100 곳

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]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

화합물 노트

불러오는 중…