TERT-부틸(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE

3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-

HCID 178792CAS 95715-87-0

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-QMMMGPOBSA-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, (R)-(+)-
IUPAC: tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
현지명: TERT-부틸(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE
영어명: tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate
분자식: C11H19NO4
분자량: 229.27

이름 및 동의어

95715-87-0(R)-Garner Aldehyde(R)-Garner's aldehydeGarner's aldehyde R-form [MI]UPK623LV603-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-3-Oxazolidinecarboxylic acid, 4-forMyl-2,2-diMethyl-, 1,1-diMethylethyl ester, (4R)-(+)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl esterRefChem:498081GARNER'S ALDEHYDE R-FORM

이름 더 보기

TERT-부틸(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATEtert-butyl (R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate(R)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyloxazolidinetert-Butyl (4R)-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylatetert-Butyl (R)R-Garner'saldehyde(S)-Garner's Aldehyde(+)-n-boc-n,o-isopropylidene-d-serinal(R)-2,2-diMethyloxazolidine-4-carbaldehyde

(R)-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylatetert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylateMFCD00674064tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-(+)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehydeUNII-UPK623LV60(R)-4-Formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester(4R)-3-tert-Butoxycarbonyl-2,2-dimethyl-4-formyloxazolidine

데이터베이스 식별자

CAS: 95715-87-0
PubChem CID: 178792
DTXSID: DTXSID70914847
UNII: UPK623LV60
EC Number: 627-510-1
Nikkaji: J329.940F

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

끓는 점: 67 °C/0.3 · 67 °C/0.3 mmHg(lit.)
밀도: 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
굴절률: 1.445 · 1.445-1.447
인화점: 107 °C · 107 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
산도 계수 (pKa): -3.26 · -3.26±0.60(Predicted)
물리적 상태: 기름
색상: 무색~담황색
BRN: 3651554 · 3651554
InChI: 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-/m0/s1
InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-N
SMILES: O1C[C@H](C=O)N(C(OC(C)(C)C)=O)C1(C)C

화학적 성질

Clear pale yellow oil

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.