2,3-ジメトキシ-1,3-ブタジエン

2,3-Dimethoxy-1,3-butadiene

HCID 19169CAS 3588-31-6

基本情報

標準SMILES
C=C(OC)C(=C)OC
InChIKey
NHBDKDZHQKQPTF-UHFFFAOYSA-N
分子式
C6H10O2
平均分子量
114.14 g/mol
単同位体質量
114.06807956

名称と識別子

優先名称
2,3-Dimethoxy-1,3-butadiene
IUPAC
2,3-dimethoxybuta-1,3-diene
現地名
2,3-ジメトキシ-1,3-ブタジエン
英語名
2,3-Dimethoxy-1,3-butadiene
分子式
C6H10O2
分子量
114.14

名称と別名

2,3-DIMETHOXY-1,3-BUTADIENE3588-31-6DTXSID30189438RefChem:81785DTXCID60111929626-576-9NHBDKDZHQKQPTF-UHFFFAOYSA-N2,3-dimethoxybuta-1,3-diene1,3-Butadiene, 2,3-dimethoxy-rans,trans-1,3-Butadiene-1,4-dicarboxylic acid23-Dimethoxy-13-butadieneSCHEMBL1721841
名称をさらに表示
2,3-ジメトキシ-1,3-ブタジエン2,3-ジメトキシブタ-1,3-ジエン2,3-Dimethoxy-1,3-bu2,3-DIMETHOLXY-1,3-BUTADIENE2,3-DIMETHOXY-1,3-BUTADIENCEAminocaproic acid impurities32,3-Dimethoxy-1,3-butadiene 95%
2,3-Dimethoxy-buta-1,3-dieneAKOS0159124372,3-Dimethoxy-1,3-butadiene, 95%EN300-85834G77336

データベース識別子

CAS
3588-31-6
PubChem CID
19169
DTXSID
DTXSID30189438
EC Number
626-576-9
Nikkaji
J496.084J

物性

構造計算による物性

XLogP
1.4
極性表面積
18.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
3
重原子数
8

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点
19 °C · 19 °C (lit.)
沸点
134 · 134-136 °C/745 mmHg (lit.)
比重(密度)
0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.459(lit.)
闪点
91 °F · 91 °F
貯蔵温度
2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk
3
ridadr
UN 1993 3/PG 3
risk_code
10
safety_code
16-33
hazard_class
3.2
packing_group
III

化学と産業

応用分野 · 2 件

使用2,3-Dimethoxy-1,3-butadiene has been employed as diene to investigate the Diels-Alder chemistry of pristine and defective graphene. It was also used in the synthesis of novel benzopentathiepin varacinium trifluoroacetate.It may be used in the preparation of 3,4-dimethoxythiophene, an intermediate for the synthesis of 3,4-ethylenedioxythiophene (EDOT). It may also be used to form thio esters by reacting with mercaptans in the presence of cobalt carbonyl catalyst.

一般的な説明2,3-Dimethoxy-1,3-butadiene (DMEBD) is a 1,3-butadiene derivative. The reaction kinetics of hydrolysis of 2,3-dimethoxy-1,3-butadiene in the presence of acid catalyst has been investigated. The [4+2] cycloadditions of 3-nitrocoumarins with DMEBD has been investigated in aqueous medium, in organic solvent and under solventless conditions. This reaction led to the formation of 4-substituted 3-nitrochromanones. It forms adducts with graphene and Diels-Alder chemistry in this formation has been investigated.

上流・下流製品情報

サプライヤー46 社

陕西科贝莱药物研发有限公司13119135307 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

関連反応

2 件

関連ノート

読み込み中…