488216
丁烯二醇
≥99%
别名:
3-丁烯-1,2-二醇
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关于此项目
线性分子式:
CH2=CHCH(OH)CH2OH
化学文摘社编号:
分子量:
88.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-835-1
Beilstein/REAXYS Number:
1633578
MDL number:
Assay:
≥99%
Quality Level
assay
≥99%
bp
195 °C/733 mmHg (lit.)
density
1.047 g/mL at 25 °C (lit.)
functional group
hydroxyl
SMILES string
OCC(O)C=C
InChI
1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
InChI key
ITMIAZBRRZANGB-UHFFFAOYSA-N
General description
3,4-二羟基-1-丁烯，也称为3-丁烯-1,2-二醇（BDdiol），是1,3-丁二烯的代谢产物。 它形成用于合成不同手性结构单元的前体。 BDdiol经过氧化，形成羟甲基乙烯基酮（HMVK）。 在环氧化物水解酶（EH）存在下，1,2-环氧-3-丁烯（EB）水解形成BDdiol。
Application
使用3,4-二羟基-1-丁烯：
- 作为反应剂以通过连续流过程合成循环有机碳酸酯。
- 制备用于定向药物相关RNA的取代恶唑烷酮配体。
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Versatile and scalable synthesis of cyclic organic carbonates under organocatalytic continuous flow conditions
Gerardy R, et al.
Catalysis Science & Technology, 9(24), 6841-6851 (2019)
Gregory M Sandala et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 15(19), 4865-4873 (2009-03-28)
High-level conventional ab initio and density functional theory (DFT) calculations have been performed to examine the fate of the native substrate glycerol (1) and its analogue but-3-ene-1,2-diol (7) in the coenzyme B(12)-dependent enzyme glycerol dehydratase (GDH). Experimental studies find that
R J Krause et al.
Chemical research in toxicology, 14(12), 1590-1595 (2001-12-18)
The metabolic fate of 3-butene-1,2-diol (BDD), a secondary metabolite of the industrial carcinogen, 1,3-butadiene, is unclear. The current study characterizes BDD oxidation to hydroxymethylvinyl ketone (HMVK), a reactive Michael acceptor. Because of its instability in aqueous medium, HMVK was trapped
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 488216-100ML | 04061837324161 |
| 488216-25ML | 04061837324178 |