2-BUTENE-1,4-DIOL

Base Information

• Chemical Name: 2-BUTENE-1,4-DIOL
• CAS No.: 821-11-4
• Molecular Formula: C4H8 O2
• Molecular Weight: 88.1063
• Hs Code.: 29052900
• European Community (EC) Number: 203-787-0,617-300-8
• UNII: 0P6354W2W1
• DSSTox Substance ID: DTXSID801033684
• Nikkaji Number: J549E,J3.835K
• Wikidata: Q27237056
• ChEMBL ID: CHEMBL3188586
• Mol file: 821-11-4.mol

Synonyms:2-Butene-1,4-diol,(E)- (8CI); 2-Butene-1,4-diol, trans- (6CI); (2E)-But-2-ene-1,4-diol;(E)-2-Butene-1,4-diol; (E)-2-Butene-1,4-diol; Penitricin C;trans-2-Butene-1,4-diol

Chemical Property of 2-BUTENE-1,4-DIOL

Chemical Property:

• Melting Point: 7 °C(lit.)
• Refractive Index: n20/D 1.478(lit.)
• Boiling Point: 131.5 °C12 mm Hg(lit.)
• PKA: 13.88±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 40.46000
• Density: 1.07 g/mL at 25oC(lit.)
• LogP: -0.47280
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, DMSO, Methanol (Slightly)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 34.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-2-Butene-1,4-diol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C(C=CCO)O
• Isomeric SMILES: C(/C=C/CO)O
• Uses: trans-2-Butene-1,4-diol can be used as an extender in polyurethanes and as a catalyst precursor in the preparation of α,ω,kentro-telechelic poly(THF).

Technology Process of 2-BUTENE-1,4-DIOL

There total 78 articles about 2-BUTENE-1,4-DIOL which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

epoxybutene (930-22-3,62249-81-4) → 3,4-butenediol (497-06-3,86161-40-2) + 1,4-butenediol (821-11-4,6117-80-2,110-64-5)

Guidance literature:

With water; molybdenum-containing silicate; at 25 ℃; for 5h; Product distribution / selectivity;

Reference yield: 51.0%

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 3,4-butenediol (497-06-3,86161-40-2) + 1,4-butenediol (821-11-4,6117-80-2,110-64-5)

Guidance literature:

With oxygen; In ethyl acetate; at 60 ℃; for 60h; under 7500.75 Torr; Temperature; Reagent/catalyst; Solvent; Pressure;

Reference yield:

1,4-dihydroxybut-2-yne (110-65-6) → 1,4-butenediol (6117-80-2) + trans-butene-1,4-diol (821-11-4)

Guidance literature:

With hydrogen; ruthenium palladium; In propan-1-ol; at 89.9 ℃; Rate constant;

upstream raw materials:

epoxybutene

1,4-dihydroxybut-2-yne

trans-1,4-dichlorobut-2-ene

(E)-1,4-dibromobutene

Downstream raw materials:

1,4-bis-nitrooxy-but-2t-ene

crotonaldehyde

3-chlorotetrahydrofuran

2,5-dihydrofuran

Refernces

• 1、 Kiesewetter, Matthew K.,Edward, Justin A.,Kim, Hyunuk,Waymouth, Robert M.. "Polycondensation of butenediol: Synthesis of telechelic 2-butene-1,4-diol oligomers". . p. 16390 - 16393. Retrieved 2011.
• 2、 Hoang, Tram,Lauher, Joseph W.,Fowler, Frank W.. "The topochemical 1,6-polymerization of a triene". . p. 10656 - 10657. Retrieved 2002.
• 3、 Browne, Duncan L.,Colombel-Rouen, Sophie,Crévisy, Christophe,Curbet, Idriss,Mauduit, Marc,McBride, Tom,Morvan, Jennifer,Roisnel, Thierry. "Continuous Flow Z-Stereoselective Olefin Metathesis: Development and Applications in the Synthesis of Pheromones and Macrocyclic Odorant Molecules**". supporting information. p. 19685 - 19690. Retrieved 2021/08/06.
• 4、 -. "Preparation method of N-(4-methylpyridine-3-yl) methyl carbamate". Paragraph 0020; 0022; 0025; 0030; 0032; 0035; 0040; 0042. . Retrieved 2021/06/02.