1-OXA-6-AZASPIRO[2.5]옥탄-6-카르복실산,1,1-디메틸에틸에스테르

tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate

HCID 22135564CAS 147804-30-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CO2
InChIKey: ULSBMKGFFFMGOI-UHFFFAOYSA-N
분자식: C11H19NO3
평균 분자량: 213.27 g/mol
단동위원소 질량: 213.13649347

개요

See also: 1-Oxa-6-azaspiro(2.5)octane, N-BOC protected (annotation moved to).

이름 및 식별자

우선 이름: tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate
IUPAC: tert-butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate
현지명: 1-OXA-6-AZASPIRO[2.5]옥탄-6-카르복실산,1,1-디메틸에틸에스테르
영어명: 1-Oxa-6-azaspiro[2.5]octane-6-carboxylic acid, 1,1-dimethylethyl ester
분자식: C11H19NO3
분자량: 213.27

이름 및 동의어

tert-butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylateDTXSID30622734tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylateRefChem:1099503DTXCID20573488147804-30-61-OXA-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERMFCD077793851-Oxa-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester6-BOC-1-OXA-6-AZASPIRO[2.5]OCTANEN-BOC-1-OXA-6-AZASPIRO[2.5]OCTANE6-(tert-butoxycarbonyl)-1-oxa-6-azaspiro[2.5]octane

이름 더 보기

1-OXA-6-AZASPIRO[2.5]옥탄-6-카르복실산,1,1-디메틸에틸에스테르t-Butyl 1-Oxa-6-azaspiro[2.5]octane-6-carboxylate6-Boc-1-oxa-6-azaspiro[2.5]octane,97%1-OXA-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLIC ACIDN-Boc-1-Oxa-6-azaspiro[2.5]octane-6-carboxylic acidtert-Butyl 1-oxa-6-azaspiro[2.5]octan-6-carboxylate6-Aza-1-oxaspiro[2.5]octane-6-carboxylic acid tert-butyl ester1-Oxa-6-aza-spiro[2.5]octan-6-carboxylic acid tert-butyl ester2-oxa-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester

EN300-418851,1-Dimethylethyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate1-Oxa-6-azaspiro[2,5]octane-6-carboxylic acid tert-butyl ester1-Oxa-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester, AldrichCPRTERT-BUTYL 1-OXA-6-AZASPIRO[2,5]OCTANE-6-CARBOXYLATE1-Oxa-6-aza-spiro[2.5]octane-6-carboxylic acid tert-butyl esterA808694SCHEMBL156363

데이터베이스 식별자

CAS: 147804-30-6
PubChem CID: 22135564
DTXSID: DTXSID30622734
Nikkaji: J1.224.056B

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 42.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 261

물리화학적 성질

녹는점: 50 · 50-52℃
끓는 점: 297.6 · 297.6±33.0 °C(Predicted)
밀도: 1.12 · 1.12
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -0.82 · -0.82±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-11(5-7-12)8-14-11/h4-8H2,1-3H3
InChIKey: ULSBMKGFFFMGOI-UHFFFAOYSA-N
SMILES: O1C2(CCN(C(OC(C)(C)C)=O)CC2)C1

안전 및 규제

안전 데이터

HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-26-36/37/39-45
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Oxa-6-azaspiro[2.5]octane-6-carboxylic Acid tert-Butyl Ester is used in the synthesis of a T-type Ca2+ channel antagonist, 4-Aminomethyl-4-fluoropiperidine.