1-(DIETHOXYMETHYL)이미다졸
1-(diethoxymethyl)-1H-imidazole
기본 정보
- CAS
61278-81-7- 표준 SMILES
CCOC(OCC)n1ccnc1- InChIKey
NNQBAGFIYBBAFL-UHFFFAOYSA-N- 분자식
- C8H14N2O2
- 평균 분자량
- 170.21 g/mol
이름 및 식별자
- 우선 이름
- 1-(diethoxymethyl)-1H-imidazole
- IUPAC
- 1-(diethoxymethyl)imidazole
- 현지명
- 1-(DIETHOXYMETHYL)이미다졸
- 영어명
- 1-(Diethoxymethyl)imidazole
- 분자식
- C8H14N2O2
- 분자량
- 170.21
이름 및 동의어
1-(Diethoxymethyl)-1H-imidazoleRefChem:427611627-227-31-(Diethoxymethyl)imidazole61278-81-7MFCD009563311-DiethoxymethylimidazoleN-(diethoxymethyl)imidazoleAKOS0003206571-(Diethoxymethyl)imidazole, >=97.0%imidazole-l-carboxaldehyde diethyl acetalEN300-181928
이름 더 보기
1-(DIETHOXYMETHYL)이미다졸1H-Imidazole, 1-(diethoxymethyl)-1-(Diethoxymethyl)imidazole >=97.0%
F14529methyl(3alpha,14N-diethoxymethylimidazoleFT-0640740SCHEMBL577251-diethoxymethyl-1h-imidazoleAS-93976DB-053829
데이터베이스 식별자
- CAS
61278-81-7- PubChem CID
- 3849535
- EC Number
- 627-227-3
- Nikkaji
- J2.416.620A
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 끓는 점
- 52 °C · 52 °C(Press: 0.02 Torr)
- 밀도
- 1.041 g/mL · 1.041 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.464
- 인화점
- 112 ℃ · 112℃
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 6.13 · 6.13±0.20(Predicted)
- 물리적 상태
- liquid
- BRN
- 908482 · 908482
- InChI
- 1S/C8H14N2O2/c1-3-11-8(12-4-2)10-6-5-9-7-10/h5-8H,3-4H2,1-2H3
- InChIKey
- NNQBAGFIYBBAFL-UHFFFAOYSA-N
- SMILES
- CCOC(OCC)n1ccnc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 3 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. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- F 고인화성물질
- 10-21
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도1-(Diethoxymethyl)imidazole may be used in the preparation of various hydroxy- and amino-functionalized imidazoles, via isoprene-mediated lithiation followed by reaction with an electrophile.
일반 설명1-(Diethoxymethyl)imidazole is an orthoamide protected imidazole. The dianion reacts selectively at the 2 position 1-(Diethoxymethyl)imidazole is a 1-substituted imidazoles. Isoprene-mediated lithiation of 1-(diethoxymethyl)imidazole, leads to the preparation of the corresponding 2-lithio intermediate, which reacts with different electrophiles to afford 2-functionalised imidazoles.
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