(R)퀴녹스P(R)
2,3-Bis((1,1-dimethylethyl)methylphosphino)quinoxaline
기본 정보
- CAS
866081-62-1- 표준 SMILES
CP(c1nc2ccccc2nc1P(C)C(C)(C)C)C(C)(C)C- InChIKey
DRZBLHZZDMCPGX-UHFFFAOYSA-N- 분자식
- C18H28N2P2
- 평균 분자량
- 334.4 g/mol
- 단동위원소 질량
- 334.1727729
이름 및 식별자
- 우선 이름
- 2,3-Bis((1,1-dimethylethyl)methylphosphino)quinoxaline
- IUPAC
- tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane
- 현지명
- (R)퀴녹스P(R)
- 영어명
- (R,R)-(-)-2,3-Bis(t-butylmethylphosphino)quinoxaline
- 분자식
- C18H28N2P2
- 분자량
- 334.38
이름 및 동의어
959705-18-12,3-Bis[(1,1-dimethylethyl)methylphosphino]quinoxaline2,3-Bis((1,1-dimethylethyl)methylphosphino)quinoxalineRefChem:244319866081-62-12,3-Bis(tert-butylmethylphosphino)quinoxalineMFCD10567042tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane(R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline2,3-Bis(tert-butyl(methyl)phosphanyl)quinoxaline2,3-bis[tert-butyl(methyl)phosphanyl]quinoxalineMFCD10565649
이름 더 보기
(R)퀴녹스P(R)(R,R)-QuinoxP*(R) QuinoxP(R) QuinoxP(R)2,3-Bis((R)-tert-butyl(methyl)phosphino)quinoxaline(R,R)-(-)-2,3-Bis(t-butylmethylphosphino)quinoxaline2,3-bis((R)-tert-butyl(methyl)phosphanyl)quinoxaline2,3-bis((R)-tert-butyl(methyl)phosphaneyl)quinoxaline(R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline 97%Quinoxaline, 2,3-bis[(R)-(1,1-dimethylethyl)methylphosphino]-
SCHEMBL1988460C18H28N2P22,3-bis(t-butylmethylphosphino)-quinoxalineSCHEMBL29364593(R)-tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphaneDTXSID501209371SY066949tert-butyl-[3-(tert-butyl-methyl-phosphanyl)quinoxalin-2-yl]-methyl-phosphane
데이터베이스 식별자
- CAS
866081-62-1、959705-18-1- PubChem CID
- 16218188
- DTXSID
DTXSID501209371- EC Number
- 634-522-0
- Nikkaji
- J2.201.227D、J2.227.385J、J2.751.242I
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 336
물리화학적 성질
- 녹는점
- 100 · 100-104 °C
- 끓는 점
- 447.6 · 447.6±45.0 °C(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 산도 계수 (pKa)
- -0.54 · -0.54±0.59(Predicted)
- 물리적 상태
- 가루
- 색상
- 오렌지 레드
- InChI
- InChI=1/C18H28N2P2/c1-17(2,3)21(7)15-16(22(8)18(4,5)6)20-14-12-10-9-11-13(14)19-15/h9-12H,1-8H3/t21-,22-/s3
- InChIKey
- DRZBLHZZDMCPGX-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=CC=C2)=NC([P@@](C(C)(C)C)C)=C1[P@@](C(C)(C)C)C |&1:9,16,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 40 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 CategoriesAcute Tox. 3 (97.5%)
안전 데이터
- wgk
- 3
- ridadr
- UN2811 6.1/PG 3
- HS 번호
- 2933.99.8290
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요(R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline is an efficient ligand exhibiting high levels of enantiocontrol in synthetic transformations ranging from metal-catalyzed 1,4-addition of arylboronic acids to asymmetric hydrogenation to alkylative ring opening.
용도Air-Stable and Highly Efficient Chiral Ligands
일반 설명(R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline is an air-stable C2-symmetric P-stereogenic phosphine ligand.
관련 반응
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