1,4-벤조디옥산-6-카르복스알데하이드

2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde

HCID 248127

기본 정보

CAS
29668-44-8
표준 SMILES
O=Cc1ccc2c(c1)OCCO2
InChIKey
CWKXDPPQCVWXAG-UHFFFAOYSA-N
분자식
C9H8O3
평균 분자량
164.16 g/mol
단동위원소 질량
164.04734412

개요

2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is a heteroarenecarbaldehyde in which a formyl group is located at position 6 of 2,3-dihydro-1,4-benzodioxine. It is a heteroarenecarbaldehyde and a benzodioxine.

이름 및 식별자

우선 이름
2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde
IUPAC
2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
현지명
1,4-벤조디옥산-6-카르복스알데하이드
영어명
1,4-Benzodioxan-6-carboxaldehyde
분자식
C9H8O3
분자량
164.16

이름 및 동의어

2,3-Dihydro-1,4-benzodioxin-6-carbaldehydeRefChem:442170249-763-329668-44-81,4-Benzodioxan-6-carboxaldehyde2,3-Dihydro-1,4-benzodioxine-6-carbaldehyde2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde1,4-BENZODIOXAN-6-CARBALDEHYDE1,4-Benzodioxane-6-carboxaldehyde3,4-Ethylenedioxybenzaldehyde1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-MFCD00010092
이름 더 보기
1,4-벤조디옥산-6-카르복스알데하이드AKOS BBS-00002725TIMTEC-BB SBB0039147-Formyl-1,4-benzodioxaneBenzodioxalane-6-carbaldehyde1,4-Benzodioxane-6-carbaldehyde
1,4-benzodioxane-6-aldehyde6-Formyl-1,4-benzodioxane2,3-dihydro-1,4-benzodioxin-6-carboxaldehyde2,3-Dihydro-benzo[1,4]dioxin-6-carbaldehydeCHEBI:1373822,3-Dihydro-benzo[1,4]dioxine-6-carbaldehydeSY0011332,3-dihydro-1,4-benzodioxan-6-carboxaldehyde

데이터베이스 식별자

CAS
29668-44-8
PubChem CID
248127
DTXSID
DTXSID00952131
ChEBI
CHEBI:137382
UNII
92TK3MD2XP
EC Number
249-763-3
Nikkaji
J236.428J

물성

구조 계산 물성

XLogP
1
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
50 · 50-52 °C(lit.)
끓는 점
105 °C15 · 105 °C15 mm Hg(lit.)
밀도
1.2132 · 1.2132 (rough estimate)
굴절률
1.538 · 1.5380 (estimate)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

Yellowish-beige powder and chunks

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

wgk
3
HS 번호
29329990
hazard_code
Xi
safety_code
24/25
위험 참고 사항
Irritant
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요1,4-benodioxan-6-carboxaldehyde is a kind of aldehyde derivative. It is a useful intermediate in organic synthesis. It can be used as the building bock of the manufacturing tetrahydroisoquinoliones and benzofuran analog (a inhibitor of cAMP-specific phosphodiesterase type IV). It can also be used as an intermediate during the manufacturing of some novel Dopamine D3 and D4 receptor antagonists. It can also be used as the initial material for the manufacturing of some novel chalcone analogues that exhibit strong anti-tumor activity and low toxic side effects.

용도1,4-Benzodioxan-6-carboxaldehyde finds its uses as building block in the synthesis of tetrahydroisoquinolinones, in the preparation of benzofuran analog, a potential inhibitor of CAMP-specific phosphodiesterase type IV, in the synthesis of (5Z)-5-(2,3-dihydro-1,4-benzodioxan-6-ylmethylene)-1-methyl-2-thioxoimidazolidin-4-one. It was screened as a fragment for inhibitors of PDEA using enthalpy arrays and X-ray crystallography. 1,4-Benzodioxane-6-carboxaldehyde have also been used as an intermediate in the synthesis of a new class of Dopamine D3 and D4 receptor antagonists.

공급사101 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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