2,2-Dimethylbutan-1-ol

Base Information

• Chemical Name: 2,2-Dimethylbutan-1-ol
• CAS No.: 1185-33-7
• Molecular Formula: C6H14 O
• Molecular Weight: 102.177
• Hs Code.: 2905199090
• European Community (EC) Number: 214-681-9
• NSC Number: 35406
• UNII: P63ZRN924Q
• DSSTox Substance ID: DTXSID00152139
• Nikkaji Number: J40.567A
• Wikipedia: 2,2-Dimethyl-1-butanol
• Wikidata: Q4596752
• Mol file: 1185-33-7.mol

Synonyms:2,2-Dimethylbutan-1-ol;1185-33-7;2,2-Dimethylbutanol;2,2-DIMETHYL-1-BUTANOL;1-Butanol, 2,2-dimethyl-;2,2-dimethyl-butan-1-ol;EINECS 214-681-9;NSC 35406;BRN 1731439;UNII-P63ZRN924Q;P63ZRN924Q;NSC-35406;4-01-00-01726 (Beilstein Handbook Reference);Butanol, 2,2-dimethyl-;tert-Amylcarbinol;NSC35406;1-Butanol,2-dimethyl-;SCHEMBL10444;DTXSID00152139;WLN: Q1X2&1&1;MFCD00021983;2,2-Dimethyl-1-butanol, AldrichCPR;AKOS011971805;CCG-358801;SB84584;LS-46499;FT-0667384;EN300-95075;5-(4-CHLOROPHENYL)-2-FURYL]METHYLAMINE;A926982;J-506823;Q4596752;F8880-4114;Z995039230

Chemical Property of 2,2-Dimethylbutan-1-ol

Chemical Property:

• Vapor Pressure: 0.00814mmHg at 25°C
• Melting Point: -48.42°C (estimate)
• Refractive Index: 1.4188
• Boiling Point: 136.5°Cat760mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 37.4°C
• PSA: 20.23000
• Density: 0.816g/cm³
• LogP: 1.41490
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 7.543g/L(25 oC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

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

2,2-Dimethyl-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(C)(C)CO
• Uses: 2,2-Dimethyl-1-butanol is an organic compound primarily used as a solvent.

Technology Process of 2,2-Dimethylbutan-1-ol

There total 15 articles about 2,2-Dimethylbutan-1-ol 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: 88.0%

methanol (67-56-1) + methylbutane (78-78-4) → 3,3,4,4-Tetramethylhexan (5171-84-6) + 2,3-dimethylbutanol (19550-30-2,20281-85-0) + 2,2-Dimethyl-1-butanol (1185-33-7) + ethylene glycol (107-21-1)

Guidance literature:

With mercury; for 17h; Product distribution; Mechanism; Heating; Irradiation; other alkanes; selectivity of cross-dimerization, relative reactivities in cross-dimerizations;

DOI:10.1021/ja00190a032

Reference yield: 76.0%

2,2-dimethyl-butanoic acid methyl ester (813-67-2) → 2,2-Dimethyl-1-butanol (1185-33-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃;

DOI:10.1002/poc.3138

Reference yield:

2,2-Dimethylbutane (75-83-2) → 3,3-dimethyl-2-butanol (464-07-3,20281-91-8) + 2,2-Dimethyl-1-butanol (1185-33-7) + 3,3-dimethylbutanol (624-95-3)

Guidance literature:

With Dibenzothiophene sulfoxide; Yield given. Yields of byproduct given; Ambient temperature; Irradiation;

upstream raw materials:

formaldehyd

1,1-dimethylpropylmagnesium chloride

2,2-dimethylbutyraldehyde

isopropylmagnesium bromide

Downstream raw materials:

2-methyl-2-ethylbutanoic acid

2,2-dimethyl-n-valeric acid

perfluoroisopentane

undecafluoro-2,2-dimethylbutanoyl fluoride

Refernces

• 1、 -. "METHOD FOR HYDROGENATING METHYLOL ALKANALS". Page 5. . Retrieved 2008/06/13.
• 2、 Brown, Stephen H.,Crabtree, Robert H.. "Alkane Functionalization on a Preparative Scale by Mercury-Photosensitized Cross-Dehydrodimerization". . p. 2946 - 2953. Retrieved 2007/10/02.