6,7-디메톡시-1-테트라론

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone

HCID 266816

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13575-75-2
표준 SMILES: COc1cc2c(cc1OC)C(=O)CCC2
InChIKey: YNNJHKOXXBIJKK-UHFFFAOYSA-N
분자식: C12H14O3
평균 분자량: 206.24 g/mol
단동위원소 질량: 206.09429431

이름 및 식별자

우선 이름: 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone
IUPAC: 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
현지명: 6,7-디메톡시-1-테트라론
영어명: 6,7-Dimethoxy-1-tetralone
분자식: C12H14O3
분자량: 206.24

이름 및 동의어

6,7-Dimethoxy-1-tetralone13575-75-2K5A3S85SQP3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenoneNSC-105617DTXSID20295810RefChem:1065759DTXCID20246948810-714-16,7-dimethoxy-3,4-dihydronaphthalen-1(2h)-one6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-oneMFCD00134100

이름 더 보기

6,7-디메톡시-1-테트라론4-dihydro-67-diMethoxy-6,7-Dimethoxy-1-tetralone 97%6,7-DIMETHOXY-1-TETRALONE, 97%%

1(2H)-Naphthalenone, 3,4-dihydro-6,7-dimethoxy-3,4-Dihydro-6,7-dimethoxynaphthalen-1(2H)-oneUNII-K5A3S85SQP6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-oneMLS0027038416,7-dimethoxy-3,4-dihydro-1(2H)-naphthalenoneNSC 1056176,7-dimethoxytetralin-1-one

데이터베이스 식별자

CAS: 13575-75-2
PubChem CID: 266816
DTXSID: DTXSID20295810
ChEMBL: CHEMBL1889024
UNII: K5A3S85SQP
EC Number: 810-714-1
Nikkaji: J337.952C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 98 · 98-100 °C(lit.)
끓는 점: 358.3 · 358.3±42.0 °C(Predicted)
밀도: 1.14 · 1.140±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정질 분말 또는 결정
색상: 흰색에서 황백색까지
InChI: 1S/C12H14O3/c1-14-11-6-8-4-3-5-10(13)9(8)7-12(11)15-2/h6-7H,3-5H2,1-2H3
InChIKey: YNNJHKOXXBIJKK-UHFFFAOYSA-N
SMILES: COc1cc2CCCC(=O)c2cc1OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도6,7-Dimethoxy-1-tetralone was used in the synthesis of 2-bromotetralones by undergoing bromination. It was also used as a precursor to quinolines with dopaminergic activity, naphthols with anti-inflammatory activity and benzophenanthridine alkaloids with antitumor activity.

일반 설명6,7-Dimethoxy-1-tetralone reacts with 2-amino-4,5-dimethoxyacetophenone to form 5,6-dihydro-2,3,9,10-tetramethoxybenz[c]acridine.