2-Methyl-1,4-butanediol

Base Information

• Chemical Name: 2-Methyl-1,4-butanediol
• CAS No.: 2938-98-9
• Molecular Formula: C5H12 O2
• Molecular Weight: 104.149
• Hs Code.: 2905399090
• European Community (EC) Number: 220-925-5
• NSC Number: 91489
• UNII: 3QW64T6176
• DSSTox Substance ID: DTXSID201031185
• Nikkaji Number: J35.122I
• Wikidata: Q27894349
• Mol file: 2938-98-9.mol

Synonyms:2-Methyl-1,4-butanediol;2-Methylbutane-1,4-diol;2938-98-9;Amylene glycol;1,4-BUTANEDIOL, 2-METHYL-;EINECS 220-925-5;NSC 91489;BRN 1719165;NSC-91489;3QW64T6176;NSC91489;2-methyl-1,4-butandiol;SCHEMBL111181;WLN: Q2Y1&1Q;UNII-3QW64T6176;DTXSID201031185;MFCD00020620;AKOS015841784;AS-39226;LS-45841;FT-0690353;FT-0694541;EN300-219249;A816296;Q27894349

Chemical Property of 2-Methyl-1,4-butanediol

Chemical Property:

• Vapor Pressure: 0.0392mmHg at 25°C
• Melting Point: 50.86°C (estimate)
• Refractive Index: 1.45 (589.3 nm 18℃)
• Boiling Point: 126-127℃
• PKA: 14.91±0.10(Predicted)
• Flash Point: 98.9±13.0℃
• PSA: 40.46000
• Density: 1.4497 g/cm3 (20 ºC)
• LogP: -0.00280
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly)
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 37.1

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-1,4-butanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCO)CO

Technology Process of 2-Methyl-1,4-butanediol

There total 116 articles about 2-Methyl-1,4-butanediol 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: 100.0%

cis-4,9-dimethyl-1,6-dioxacyclodecane-2,7-dione → 2-methyl-1,4-butandiol (2938-98-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; refl. overnight;

DOI:10.1021/ja00221a041

Reference yield: 96.0%

3-methyltetrahydro-2-furanone (1679-47-6) → 2-methyl-1,4-butandiol (2938-98-9)

Guidance literature:

With C₂₄H₃₈Cl₂N₃PRu; hydrogen; sodium methylate; In isopropyl alcohol; at 25 ℃; for 6h; under 38002.6 Torr; Autoclave;

DOI:10.1039/c4gc00835a

Reference yield: 93.0%

2-methylenesuccinic acid (97-65-4,25119-64-6) → dihydro-4-methyl-2(3H)-furanone (64190-48-3,65284-00-6,70470-05-2,1679-49-8) + 2-methyl-1,4-butandiol (2938-98-9) + 3-methyltetrahydro-2-furanone (1679-47-6)

Guidance literature:

With Λ(+)-tris(pentane-2,5-dionato)ruthenium; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In 1,4-dioxane; at 195 ℃; for 18h; under 75007.5 Torr; Inert atmosphere;

DOI:10.1002/anie.201002060

upstream raw materials:

(E)-2-methyl but-2-ene-1,4-diol

Diethyl 2-methylsuccinate

1,4-dibromo-2-methyl-butane

methyl 2-methylsuccinate

Downstream raw materials:

3-methyltetrahydrofuran

1,4-dibromo-2-methyl-butane

1,4-diacetoxy-2-methyl-butane

(R)-2-methylbutane-1,4-diol

Refernces

• 1、 Duvold, Tore,Cali, Patrizia,Bravo, Jean-Michel,Rohmer, Michel. "Incorporation of 2-C-methyl-D-erythritol, a putative isoprenoid precursor in the mevalonate-independent pathway, into ubiquinone and menaquinone of Escherichia coli". . p. 6181 - 6184. Retrieved 1997.
• 2、 Zylber,Gaudemer,Gaudemer. "Absolute configuration of bongkrekic acid". . p. 648 - 649. Retrieved 1973.
• 3、 -. "Hydroformylation reaction ligand, hydroformylation catalyst and diol preparation method". Paragraph 0077-0078. . Retrieved 2021/06/22.
• 4、 -. "METHOD FOR PRODUCING ALCOHOL". Paragraph 0101-0110. . Retrieved 2020/11/26.