1,3,4,6,7,8-헥사하이드로-1-메틸-2H-피리미돌[1,2-A]피리미딘
7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
기본 정보
- CAS
84030-20-6- 표준 SMILES
CN1CCCN2CCCN=C12- InChIKey
OEBXWWBYZJNKRK-UHFFFAOYSA-N- 분자식
- C8H15N3
- 평균 분자량
- 153.22 g/mol
- 단동위원소 질량
- 153.12659748
이름 및 식별자
- 우선 이름
- 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
- IUPAC
- 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
- 현지명
- 1,3,4,6,7,8-헥사하이드로-1-메틸-2H-피리미돌[1,2-A]피리미딘
- 영어명
- 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimidol[1,2-a]pyrimidine
- 분자식
- C8H15N3
- 분자량
- 153.22
이름 및 동의어
7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido(1,2-a)pyrimidine2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-EINECS 281-791-1DTXSID702329327-methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene2H-Pyrimido(1,2-a)pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-RefChem:106326DTXCID00155423281-791-1OEBXWWBYZJNKRK-UHFFFAOYSA-N
이름 더 보기
1,3,4,6,7,8-헥사하이드로-1-메틸-2H-피리미돌[1,2-A]피리미딘CATALYST MTBD7-Methyl-1,5,7-triazabicyclo[4.4.]dec-5-ene7-methyl-1,5,7-triazadicyclo[4.4.0]decyl-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]decane-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene>
84030-20-6MTBD1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidineMFCD000430041-Methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidineS8JQ539BWX1-methyl-1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidine
데이터베이스 식별자
- CAS
84030-20-6- PubChem CID
- 123583
- DTXSID
DTXSID70232932- UNII
- S8JQ539BWX
- EC Number
- 281-791-1
- Nikkaji
- J267.465C
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 18.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 176
물리화학적 성질
- 끓는 점
- 75 · 75-79 °C0.1 mm Hg(lit.)
- 밀도
- 1.067 g/mL · 1.067 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.537(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 산도 계수 (pKa)
- 14.37 · 14.37±0.20(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색~황색~주황색
- BRN
- 7635759 · 7635759
- InChI
- InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
- InChIKey
- OEBXWWBYZJNKRK-UHFFFAOYSA-N
- SMILES
- C12=NCCCN1CCCN2C
화학적 성질
Colorless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Danger
H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (97.7%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3267 8/PG 2
- HS 번호
- 29335990
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 10
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene may be used in microwave-promoted, palladium-catalyzed C-N bond-forming reactions with aryl/heteroaryl nonaflates and amines. It may be used as strong base to investigate the podand solvents, tris(oxaalkyl)phenylsilanes and tris(oxaalkyl)phosphates.
일반 설명7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene is a soluble amine base. It forms 1:1 complexes with 4-nitrophenyl[bis(diethylsulfonyl)]methane and phenyl[bis(diethylsulfonyl)]methane and their structures have been studied by FT-IR, 1H NMR and PM5 semiempirical methods. Catalytic performance of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene for the transesterification of rapseed oil with methanol has been investigated.
관련 반응
2,553건
화합물 노트
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