6-메톡시-2-테트라론

6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one

HCID 75582CAS 2472-22-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2c(c1)CCC(=O)C2
InChIKey: RMRKDYNVZWKAFP-UHFFFAOYSA-N
분자식: C11H12O2
평균 분자량: 176.21 g/mol
단동위원소 질량: 176.08372962

이름 및 식별자

우선 이름: 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one
IUPAC: 6-methoxy-3,4-dihydro-1H-naphthalen-2-one
현지명: 6-메톡시-2-테트라론
영어명: 6-Methoxy-2-tetralone
분자식: C11H12O2
분자량: 176.21

이름 및 동의어

6-Methoxy-2-tetralone2472-22-26-Methoxy-1,2,3,4-tetrahydronaphthalen-2-oneEINECS 219-592-9DTXSID50179452RefChem:543539DTXCID801019433,4Dihydro6methoxy2(1H)naphthalenone6Methoxy1,2,3,4tetrahydronaphthalen2one219-592-96-methoxy-3,4-dihydronaphthalen-2(1H)-one6-methoxy-3,4-dihydro-1H-naphthalen-2-one

이름 더 보기

6-메톡시-2-테트라론6-Methoxytetralin-2-oneCompound Fr122886-methoxy-2-Tetrlone4-dihydro-6-Methoxy-6-Methoxy-2-tetralone>6-METHOXY-2-TETRALONE 95%6-Methoxy-2-tetralone,98%

6-methoxyl-2-tetralone2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-MFCD000017296-Methoxy-3,4-dihydro-2(1H)-naphthalenone2672-22-23,4-DIHYDRO-6-METHOXYNAPHTHALEN-2(1H)-ONE3,4-Dihydro-6-methoxy-2(1H)-naphthalenoneMaybridge4_003003

데이터베이스 식별자

CAS: 2472-22-2
PubChem CID: 75582
DTXSID: DTXSID50179452
ChEMBL: CHEMBL445805
UNII: LAV9W5N9D9
EC Number: 219-592-9
Nikkaji: J80.498C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 200

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones

Physical DescriptionYellow to red-orange solid; mp = 33-35 deg C; [Acros Organics MSDS]

물리화학적 성질

녹는점: 28 · 28-35 °C
끓는 점: 114 · 114-116 °C (0.2 mmHg)
밀도: 1.0431 · 1.0431 (rough estimate)
굴절률: 20 · n20/D 1.5645(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 결정질 저융점 고체
색상: 연한 노란색 - 베이지색에서 주황색까지
BRN: 513418 · 513418
InChI: InChI=1S/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3
InChIKey: RMRKDYNVZWKAFP-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(OC)C=C2)CCC1=O

화학적 성질

light yellow-beige to orange

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

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 6-Methoxy-alpha-tetralone and 1-Tetralone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29145090
hazard_code: Xi
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

개요6-methoxy-2-tetralone has been selected as the starting material for the synthesis of many steroidal compounds, including 2-aminotetalin derivatives, which exhibit antifungal activities, tetrahydro benzocycloheptane and many terpenoid compounds. 6-methoxy-2-tetralone is more expensive, difficult to synthesize, and unstable in comparison to 6-methoxy-1-tetralone[1].

용도6-Methoxy-3,4-dihydro-2(1H)-naphthalenone was used in the synthesis of 1, 2, 3, 4-tetrahydro-2-naphthylamine derivatives.