기본 정보
- CAS
203313-25-1- 표준 SMILES
CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2- InChIKey
CLSVJBIHYWPGQY-UHFFFAOYSA-N- 분자식
- C21H27NO5
- 평균 분자량
- 373.4 g/mol
- 단동위원소 질량
- 373.18892296
개요
Spirotetramat is an azaspiro compound that is methoxycyclohexane which is fused at position 4 to the 5-position of a 1,5-dihydro-2H-pyrrol-2-one that is substituted at positions 3 and 4 by 2,5-dimethylphenyl and (ethoxycarbonyl)oxy groups, respectively (the cis isomer). It is a proinsecticide (via hydrolysis of the ethyl carbonate group to give the corresponding 4-hydroxypyrrol-2-one, "spirotetramat-enol") and is used for the control of a wide range of sucking insects on fruit and potato crops. It has a role as a proinsecticide, an agrochemical and an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is a member of benzenes, a member of pyrroles, an azaspiro compound, a carbonate ester and a gamma-lactam.
이름 및 식별자
- 우선 이름
- 3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-yl ethyl carbonate
- IUPAC
- [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
- 영어명
- Spirotetramat
- 분자식
- C21H27NO5
- 분자량
- 373.44
이름 및 동의어
3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonateDTXSID408614953-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-yl ethyl carbonateRefChem:1066441DTXCID40209893Spirotetramat203313-25-1MoventoUltor(5s,8s)-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonateSpirotetramat [ISO]Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester
이름 더 보기
Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-Y L ethyl esterKontosBYI 8330Spirotetramat 95%Movento from BayerSpirotetramat (>90%)70%Spirotetramat WDG
DTXSID7044342BYI 13304G7KR034OX382608-10-8[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] Ethyl Carbonatecis-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonatecis-4-(ethoxycarbonyloxy)-8-methoxy-3-(2,5-xylyl)-1-azaspiro(4.5)dec-3-en-2-onecis-4-(Ethoxycarbonyloxy)-8-methoxy-3-(2,5-xylyl)-1-azaspiro[4.5]dec-3-en-2-one
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 606
실험 및 물리화학적 성질
Pesticides
Insecticides
Environmental transformation -> Pesticides (parent, predecessor)
Collision Cross Section
202.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044342]
189.99 Ų [M+H]+ [CCS Type: TW]
물리화학적 성질
- 끓는 점
- 561 · 561.0±50.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- Chloroform: Slightly soluble,Methanol: Slightly soluble
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.48 · 11.48±0.70(Predicted)
- 색상
- White to light brown
- Henry's Law Constant
- 1.4 · 1.4×107 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 안정성
- 흡습성
- 주요 응용
- 농업환경
- InChI
- 1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)/t15-,21+
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 2Skin Sens. 1ASTOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Insecticides
Environmental transformation -> Pesticides (parent, predecessor)
응용 분야
용도Spirotetramat is a synergistic insecticide.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…