(3aS)-1-methyl-3,3-diphenyl-hexahydropyrrolo(1,2-c)(1,3,2)oxazaborole

HCID 2734713
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
112022-81-8
표준 SMILES
CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12
InChIKey
VMKAFJQFKBASMU-KRWDZBQOSA-N
분자식
C18H20BNO
평균 분자량
277.2 g/mol
단동위원소 질량
277.16379466

이름 및 식별자

우선 이름
(3aS)-1-methyl-3,3-diphenyl-hexahydropyrrolo(1,2-c)(1,3,2)oxazaborole
IUPAC
(3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
영어명
(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole
분자식
C18H20BNO
분자량
277.17

이름 및 동의어

(3aS)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole(3aS)-1-methyl-3,3-diphenyl-hexahydropyrrolo(1,2-c)(1,3,2)oxazaboroleRefChem:400604601-150-5112022-81-8(S)-2-Methyl-CBS-oxazaborolidine(S)-(-)-2-Methyl-CBS-oxazaborolidine(S)-1-Methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole(S)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole(3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole(S)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidineMFCD00078439
이름 더 보기
(S)-1-methyl-3,3-diphenyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole(3aS)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole(S)-ME CBS(S)-Me-CBS Catalyst(S)-METHYL OXAZABOROLIDINE(S)-2-METHYL-CBS-OXAZABOROL
S-(-)-2-Methyl-CBS-oxazaborolidine(S)-2-Methyl-CBS-oxazaborolidine (1 M in Toluene)(S)-3,3-Diphenyl-1-methyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaboroleC18H20BNO(S)-2-METHYL-CBS-OXAZABOROLIDINE MONOHYDRATE1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole #(S)-3,3-diphenyl-1-methyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2] oxazaborol(S)-Me-CBS

데이터베이스 식별자

CAS
112022-81-8
PubChem CID
2734713
DTXSID
DTXSID60370458
EC Number
601-150-5
Nikkaji
J370.864K

물성

구조 계산 물성

극성 표면적
12.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
21

물리화학적 성질

녹는점
115 · 115-117°C
끓는 점
111 °C · 111 °C
밀도
0.93 g/mL · 0.93 g/mL at 20 °C(lit.)
굴절률
-68 ° · -68 ° (C=1, MeOH)
인화점
40 °F · 40 °F
저장 조건
room temp

화학적 성질

Colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (71.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 150 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (71.3%)

안전 데이터

wgk
3
ridadr
UN 1294 3/PG 2
HS 번호
29349990
risk_code
36/37/38-67-65-63-48/20-11-19-40
hazard_code
Xi,Xn,F
safety_code
26-62-36/37-33-29-16

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

관련 반응

91건
반응 기록 만들기

화합물 노트

불러오는 중…