3,3-Dimethylpentan-1-ol

Base Information

• Chemical Name: 3,3-Dimethylpentan-1-ol
• CAS No.: 19264-94-9
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID50400975
• Wikidata: Q82204045
• Mol file: 19264-94-9.mol

Synonyms:3,3-dimethylpentan-1-ol;19264-94-9;1-Pentanol, 3,3-dimethyl-;3,3-dimethyl-1-pentanol;3,3-dimethylpentanol;SCHEMBL497732;DTXSID50400975;IFDHMBHPLKHMOY-UHFFFAOYSA-N;AKOS006278011;FT-0659119;EN300-95514;A813591;Z1198160090

Chemical Property of 3,3-Dimethylpentan-1-ol

Chemical Property:

• Melting Point: -30.45°C (estimate)
• Refractive Index: 1.4260
• Boiling Point: 167°C
• PKA: 15.20±0.10(Predicted)
• PSA: 20.23000
• Density: 0.8280
• LogP: 1.80500
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 57.4

Purity/Quality:

97% ^*data from raw suppliers

3,3-Dimethylpentan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)CCO

Technology Process of 3,3-Dimethylpentan-1-ol

There total 6 articles about 3,3-Dimethylpentan-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:

3,3-dimethylpentanoic acid methyl ester (101186-01-0) → 3,3-dimethyl-1-pentanol (19264-94-9)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at 0 ℃; for 0.5h;

Reference yield:

1-chloro-3,3-dimethyl-pentane (34887-09-7) → 3,3-dimethyl-1-pentanol (19264-94-9)

Guidance literature:

With Grignard's compound;

Reference yield:

2-methyl-2-butylchloride (594-36-5) → 3,3-dimethyl-1-pentanol (19264-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: MgO; water / 225 °C

With aluminium trichloride; water; magnesium oxide;

upstream raw materials:

1-chloro-3,3-dimethyl-pentane

3,3-dimethyl-valeric acid ethyl ester

water

2-methyl-2-butylchloride

Downstream raw materials:

3,3-dimethylpentanoic acid

3,5-dinitro-benzoic acid-(3,3-dimethyl-pentyl ester)