(S)-(-)-3-TERT-부톡시카르보닐-4-포르밀-2,2-디메틸-1,3-옥사졸리딘

3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-

HCID 179824CAS 102308-32-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1[C@H](C=O)COC1(C)C
InChIKey: PNJXYVJNOCLJLJ-MRVPVSSYSA-N
분자식: C11H19NO4
평균 분자량: 229.27 g/mol
단동위원소 질량: 229.13140809

이름 및 식별자

우선 이름: 3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-
IUPAC: tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
현지명: (S)-(-)-3-TERT-부톡시카르보닐-4-포르밀-2,2-디메틸-1,3-옥사졸리딘
영어명: (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine
분자식: C11H19NO4
분자량: 229.27

이름 및 동의어

102308-32-7tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate(S)-Garner aldehyde41AJ913HQI3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-3-Oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-(S)-GARNER'S ALDEHYDEDTXSID70144900GARNER'S ALDEHYDE S-FORM [MI](S)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester(-)-TERT-BUTYL 4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE(S)-TERT-BUTYL 4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE

이름 더 보기

(S)-(-)-3-TERT-부톡시카르보닐-4-포르밀-2,2-디메틸-1,3-옥사졸리딘tert-butyl (S)-4-formyl-2,2-dimethyloxazolidine-3-carboxylateGARNER'S ALDEHYDES-Garner'saldehyde(-)-Garner aldehyde1,1-DiMethylethyl1,1-DiMethylethyl(-)-n-boc-n,o-isopropylidene-l-serinal3-trans-bromocarbon-2,2'-dimethyloxoester

RefChem:498082DTXCID0067391GARNER'S ALDEHYDE S-FORM624-797-5(S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehydetert-Butyl (S)-(-)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylateMFCD00209557(S)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde

데이터베이스 식별자

CAS: 102308-32-7
PubChem CID: 179824
DTXSID: DTXSID70144900
UNII: 41AJ913HQI
EC Number: 624-797-5
Nikkaji: J293.517A

물성

구조 계산 물성

XLogP: 1
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 293

물리화학적 성질

녹는점: 35 · 35-38 °C
끓는 점: 83 · 83-88 °C1 mm Hg(lit.)
밀도: 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.445(lit.)
인화점: 226 °F · 226 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): -3.26 · -3.26±0.60(Predicted)
색상: 무색~황색으로 투명함
수용성: 물에 약간 용해됩니다.
BRN: 3591324 · 3591324
InChI: 1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m1/s1
InChIKey: PNJXYVJNOCLJLJ-MRVPVSSYSA-N
SMILES: [H]C(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C

화학적 성질

Clear colorless to 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.