4-Methylhept-4-en-1-yn-3-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

HCID 54462838

기본 정보

CAS
54407-47-5
표준 SMILES
C#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)C(C)=CCC
InChIKey
XCUGQTFVQHTFPD-UHFFFAOYSA-N
분자식
C16H20Cl2O2
평균 분자량
315.2 g/mol
단동위원소 질량
314.0840353

이름 및 식별자

우선 이름
4-Methylhept-4-en-1-yn-3-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
IUPAC
4-methylhept-4-en-1-yn-3-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
영어명
chlorempenthrin
분자식
C16H20Cl2O2
분자량
315.24

이름 및 동의어

SCHEMBL3395439DTXSID70581234-methylhept-4-en-1-yn-3-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate4-Methylhept-4-en-1-yn-3-yl 3-(2,2-dichloroethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate8501cChlovaporthrinchlorempenthrinCyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dime...1-ethynyl-2-methylpenten-2-yl-(1R,S)-cis,trns-2,2-dimethyl-3-(2,2-dichlorovinyl) cyclpropanecarboxylateCyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-2-penten-1-ylester1-Ethynyl-2-methyl-2-penten-1-yl (1R,S)-cis,trans-2,2-dimethyl-3-(2,2-dichlorovinyl) cyclopropanecarboxylate

데이터베이스 식별자

CAS
54407-47-5
PubChem CID
54462838
DTXSID
DTXSID7058123

물성

구조 계산 물성

XLogP
5.3
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
6
무거운 원자 수
20

물리화학적 성질

끓는 점
385.3 · 385.3±42.0 °C(Predicted)
밀도
1.192 · 1.192±0.06 g/cm3(Predicted)
InChI
InChI=1S/C16H20Cl2O2/c1-6-8-10(3)12(7-2)20-15(19)14-11(9-13(17)18)16(14,4)5/h2,8-9,11-12,14H,6H2,1,3-5H3
InChIKey
XCUGQTFVQHTFPD-UHFFFAOYSA-N
SMILES
C1(C(OC(C#C)C(C)=CCC)=O)C(/C=C(/Cl)\Cl)C1(C)C

화학 및 산업

응용 분야 · 2건

용도Chlorempenthrin is used in the sanitary insecticidal compositions. It is also used in self heating Mosquito repellent.

일반 설명Chlorempenthrin, also known as 1-ethynyl-2-methylpent-2-enyl (RS)-2,2-dimethyl- 3-(2,2-dichlorovinyl) cyclopropanecarboxylate and 3-(2,2-dichlorovinyl)-2,2- dimethylcyclopropanecarboxylic acid-1-ethynyl-2-methylpenten-2-ol ester, is a derivative of 1-ethynyl-2-methyl penten-2-ol. Molecular formula: C17H22O2Cl2, molecular weight: 329.265.

제조 방법 · 1건

2-Methyl-1-ethynyl-2-pentenol, pyridine and toluene were added to the reaction vessel, and 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride were added in a dropwise manner under agitation. The reaction was carried out at a suitable temperature for 6 h. After reaction, the reaction solution was washed with water until neutral, dried and then subjected to distillation under reduced pressure. Chlorempenthrin was collected from a fraction of 130–132°C (1mmHg). The yield of chlorempenthrin was 86%.

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

관련 반응

0건

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…