9-메톡시-2,3-디히드로푸로[3,2-G]쿠마린

4',5'-Dihydro-8-methoxypsoralen

HCID 77409

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3779-03-1
표준 SMILES: COc1c2c(cc3ccc(=O)oc13)CCO2
InChIKey: BUNGCZLFHHXKBX-UHFFFAOYSA-N
분자식: C12H10O4
평균 분자량: 218.2 g/mol
단동위원소 질량: 218.0579088

개요

9-Methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one has been reported in Aegle marmelos with data available.

이름 및 식별자

우선 이름: 4',5'-Dihydro-8-methoxypsoralen
IUPAC: 9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
현지명: 9-메톡시-2,3-디히드로푸로[3,2-G]쿠마린
영어명: 9-METHOXY-2,3-DIHYDROFURO[3,2-G]COUMARIN
분자식: C12H10O4
분자량: 218.21

이름 및 동의어

3779-03-17H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one9-Methoxy-2,3-dihydrofuro[3,2-g]coumarinZE8WE76SKK4',5'-Dihydro-8-methoxypsoralenNSC-401281DTXSID70631882,3-Dihydro-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-methoxy-9-METHOXY-2,3-DIHYDROFURO(3,2-G)COUMARIN2,3-dihydro-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one

이름 더 보기

9-메톡시-2,3-디히드로푸로[3,2-G]쿠마린2,3-dihydroxanthotoxin2-g][1]benzopyran-7-one,2,3-dihydro-9-methoxy-7h-furo[9-Methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one

5-BENZOFURANACRYLIC ACID, 2,3-DIHYDRO-6-HYDROXY-7-METHOXY-, .DELTA.-LACTONE9-methoxy-2,3-dihydrofuro(3,2-g)chromen-7-oneRefChem:505870DTXCID30394065-BENZOFURANACRYLIC ACID, 2,3-DIHYDRO-6-HYDROXY-7-METHOXY-, DELTA-LACTONE223-238-99-Methoxy-2H-furo[3,2-g]chromen-7(3H)-one9-methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one

데이터베이스 식별자

CAS: 3779-03-1
PubChem CID: 77409
DTXSID: DTXSID7063188
ChEMBL: CHEMBL139604
UNII: ZE8WE76SKK
EC Number: 223-238-9
Nikkaji: J217.677G

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 325

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 158 · 158-160°C
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: 고체
색상: 흰색에서 황백색까지
EPA: 7 H-Furo[3,2-g][1]benzopyran-7-one, · 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy- (3779-03-1)

안전 및 규제

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy-: INACTIVE

응용 분야

용도4',5'-Dihydro-8-methoxypsoralen is a furocouramin derivative with insect antifeeding activity. 4',5'-Dihydro-8-methoxypsoralen is dihydro impurity as well as a metabolite of 8-Methoxypsoralen (M260795 ), also known as Methoxsalen.