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:
产品名称
丁烯二醇, ≥99%
InChI key
ITMIAZBRRZANGB-UHFFFAOYSA-N
InChI
1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
SMILES string
OCC(O)C=C
assay
≥99%
bp
195 °C/733 mmHg (lit.)
density
1.047 g/mL at 25 °C (lit.)
functional group
hydroxyl
Quality Level
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。
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。
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
3-Butene-1, 2-diol: An attractive precursor for the synthesis of enantiomerically pure organic compounds.
Rao AVR, et al.
Tetrahedron, 45(22), 7031-7040 (1989)
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)
X Cheng et al.
Drug metabolism and disposition: the biological fate of chemicals, 21(1), 121-124 (1993-01-01)
A rapid, simple extraction and GC assay procedure is described that allows quantitation of micromolar concentrations of butadiene bisoxide and 3-butene-1,2-diol in microsomal suspensions exposed to butadiene. Butane-1,4-diol is used as the internal standard. The recovery of these compounds from
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
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
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