4-BOC-2-모르폴린카복실산

4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid

HCID 2755965

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 189321-66-2
표준 SMILES: CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1
InChIKey: LGWMTRPJZFEWCX-UHFFFAOYSA-N
분자식: C10H17NO5
평균 분자량: 231.25 g/mol
단동위원소 질량: 231.11067264

이름 및 식별자

우선 이름: 4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
현지명: 4-BOC-2-모르폴린카복실산
영어명: 4-BOC-2-MORPHOLINECARBOXYLIC ACID
분자식: C10H17NO5
분자량: 231.25

이름 및 동의어

4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acidRefChem:509958801-250-0189321-66-24-Boc-2-morpholinecarboxylic acidN-Boc-Morpholine-2-carboxylic acid4-(tert-butoxycarbonyl)morpholine-2-carboxylic acidN-Boc-2-morpholinecarboxylic acidMFCD013210064-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic Acid4-tert-butoxycarbonylmorpholine-2-carboxylic acid

이름 더 보기

4-BOC-2-모르폴린카복실산BOC-COP-OHBOC-COPBoc-(R,S)-Cop-OHRARECHEM EM WB 0087(R,S)-BOC-2-CARBOXYMORPHOLINEBOC-(R,S)-2-CARBOXYMORPHOLINE

4-(1,1-Dimethylethyl) Ester 2,4-Morpholinedicarboxylic Acid(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acidboc-2-carboxymorpholineSCHEMBL59641(rac)-boc-2-carboxymorpholineDTXSID40373164LGWMTRPJZFEWCX-UHFFFAOYSA-NMORPHOLINE-2,4-DICARBOXYLIC ACID 4-TERT-BUTYL ESTER

데이터베이스 식별자

CAS: 189321-66-2
PubChem CID: 2755965
DTXSID: DTXSID40373164
EC Number: 801-250-0

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 76.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 283

물리화학적 성질

녹는점: 139 oC · >139oC (dec.)
끓는 점: 369.5 · 369.5±42.0 °C(Predicted)
밀도: 1.23 · 1.230±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨, 가열)
물리적 상태: 고체
산도 계수 (pKa): 3.25 · 3.25±0.20(Predicted)
색상: 미색부터 페일 베이지까지
InChI: InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey: LGWMTRPJZFEWCX-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCOC(C(O)=O)C1

화학적 성질

4-BOC-2-MORPHOLINECARBOXYLIC ACID is white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

안전 데이터

HS 번호: 29334900
risk_code: 36-51
hazard_code: Xi
safety_code: 26

화학 및 산업

응용 분야

용도4-BOC-2-MORPHOLINECARBOXYLIC ACID is used in the preparation of potent and selective 3-phosphoinositide-dependent kinase 1 (PDK 1) inhibitors used in the treatment of multipl e myelomas.