메틸(R)-(+)-3-(TERT-부톡시카르보닐)-2,2-디메틸-4-옥사졸리딘카르복실레이트

3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

HCID 688220CAS 95715-86-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIKey: ZNBUXTFASGDVCL-MRVPVSSYSA-N
분자식: C12H21NO5
평균 분자량: 259.3 g/mol
단동위원소 질량: 259.14197277

이름 및 식별자

우선 이름: 3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
IUPAC: 3-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
현지명: 메틸(R)-(+)-3-(TERT-부톡시카르보닐)-2,2-디메틸-4-옥사졸리딘카르복실레이트
영어명: Methyl (R)-(+)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylate
분자식: C12H21NO5
분자량: 259.3

이름 및 동의어

3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate(R)-Methyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylateRefChem:505322625-916-395715-86-9(R)-3-tert-Butyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylateMethyl (R)-N-Boc-2,2-dimethyloxazolidine-4-carboxylateMethyl (R)-(+)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylateMFCD006740413-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylateMethyl (R)-(+)-3-Boc-2,2-dimethyl-4-oxazolidinecarboxylate(R)-(+)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylic Acid Methyl Ester

이름 더 보기

메틸(R)-(+)-3-(TERT-부톡시카르보닐)-2,2-디메틸-4-옥사졸리딘카르복실레이트-1,3-oxazoL4-dicarboxylateidine-4-carboxyLRARECHEM AH CK 0054ate, N-BOC protected(4R)-(+)-2,2-dimethyL2-diMethyloxazolidine-3(R)-3-tert-butyl 4-Methyl 2methyl (R)-3-(T-butoxycarbonyl)-2,2-di-me-4-oxaz

BP-12795ZNBUXTFASGDVCL-MRVPVSSYSA-N(4R)-2,2-Dimethyl-3,4-oxazolidinedicarboxylic Acid 3-(1,1-Dimethylethyl) 4-Methyl Ester; (R)-2,2-Dimethyloxazolidine-3,4-dicarboxylic Acid 3-tert-Butyl Ester 4-Methyl Ester;SCHEMBL1214193-(tert-butyl) 4-methyl (R)-2,2-dimethyloxazolidine-3,4-dicarboxylateDTXSID60350836(R)-(+)-3-(tert-Butoxycarbonyl)-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidine(R)-(+)-3-(tert-Butoxycarbon

데이터베이스 식별자

CAS: 95715-86-9
PubChem CID: 688220
DTXSID: DTXSID60350836
UNII: N88SYW3697
EC Number: 625-916-3
Nikkaji: J1.410.237J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 65.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 345

물리화학적 성질

끓는 점: 89 °C/0.8 · 89 °C/0.8 mmHg(lit.)
밀도: 1.082 g/mL · 1.082 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.444(lit.)
인화점: 93 °C · 93 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
산도 계수 (pKa): -3.58 · -3.58±0.60(Predicted)
물리적 상태: 기름
색상: 노란색
InChI: 1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m1/s1
InChIKey: ZNBUXTFASGDVCL-MRVPVSSYSA-N
SMILES: COC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

화학적 성질

Yellow Oil

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)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.