기본 정보
- CAS
131860-97-4- 표준 SMILES
COC=C(C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1- InChIKey
YRYZZSRRDCTETP-UHFFFAOYSA-N- 분자식
- C15H13ClN2O4
- 평균 분자량
- 320.73 g/mol
- 단동위원소 질량
- 320.05638458
이름 및 식별자
- 우선 이름
- Methyl 2-{2-[(6-chloropyrimidin-4-yl)oxy]phenyl}-3-methoxyprop-2-enoate
- IUPAC
- methyl 2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoate
- 영어명
- Methyl (E)-2-[2-(6-chloropyrimidin-4-yloxy)phenyl]-3-methoxyacrylate
- 분자식
- C15H13ClN2O4
- 분자량
- 320.73
이름 및 동의어
SCHEMBL1223741DTXSID80694880AKOS030241415methyl 2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxy-prop-2-enoateMethyl 2-{2-[(6-chloropyrimidin-4-yl)oxy]phenyl}-3-methoxyprop-2-enoateSB57942DB-062856NS00007968methyl 2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoatePyrimidine furanoneMethyl (E)-2-[2-(6-chloropyrimidin-4-yloxy)phenyl]-3-methoxy...METHYL (E)-2-[2-(6-CHLOROPYRIMIDIN-4-YLOXY)PHENYL]-3-METHOXYACRYLATE
이름 더 보기
(E)-Methyl 2-(2-((6-chloropyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylateMethyl (E)-2-[2-[(6-Chloro-4-pyrimidinyl)oxy]phenyl]-3-methoxyacrylatemethyl (E)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoate（E）-2-[2-(6-Chloropyrimidin-4-yloxy)phenyl]-3-methoxyacrylicacidmethylestermethyl (2E)-2-{2-[(6-chloropyrimidin-4-yl)oxy]phenyl}-3-methoxyprop-2-enoateMethyl (αE)-2-[(6-chloro-4-pyrimidinyl)oxy]-α-(methoxymethylene)benzeneacetate
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 70.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 405
물리화학적 성질
- 끓는 점
- 469.3 · 469.3±45.0 °C(Predicted)
- 밀도
- 1.305 · 1.305
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -2.52 · -2.52±0.18(Predicted)
- 색상
- 노란색
- InChI
- InChI=1S/C15H13ClN2O4/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(16)17-9-18-14/h3-9H,1-2H3/b11-8+
- InChIKey
- YRYZZSRRDCTETP-DHZHZOJOSA-N
- SMILES
- N1=C(Cl)C=C(OC2C(/C(/C(OC)=O)=C\OC)=CC=CC=2)N=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933599590
- 기존화학 물질
- 2015-3-6567
화학 및 산업
응용 분야
용도(αE)-2-[(6-chloro-4-pyrimidinyl)oxy]-α-(methoxymethylene)benzeneacetic Acid Methyl Ester is an intermediate in the synthesis of Azoxystrobin (A965150), an strobilurin fungicide.
공급사98 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
관련 반응
11건
화합물 노트
불러오는 중…