2,2-Dimethylheptane

Base Information

• Chemical Name: 2,2-Dimethylheptane
• CAS No.: 1071-26-7
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• European Community (EC) Number: 213-989-0
• NSC Number: 74181
• UNII: 3UIU4Z489X
• DSSTox Substance ID: DTXSID0061454
• Nikkaji Number: J100.620G
• Wikidata: Q2813765
• Mol file: 1071-26-7.mol

Synonyms:2,2-DIMETHYLHEPTANE;1071-26-7;Heptane, 2,2-dimethyl-;trimethylhexane;Hexane, trimethyl-;3UIU4Z489X;EINECS 213-989-0;NSC 74181;NSC-74181;26447-41-6;NSC74181;Heptane,2-dimethyl-;2,2-dimethyl-heptane;2,2-Dimethyl heptane;Dimethylheptane, 2,2-;UNII-3UIU4Z489X;DTXSID0061454;FT-0633284;Q2813765

Chemical Property of 2,2-Dimethylheptane

Chemical Property:

• Vapor Pressure: 11.1mmHg at 25°C
• Boiling Point: 132°Cat760mmHg
• Flash Point: 24.4°C
• PSA: 0.00000
• Density: 0.724g/cm³
• LogP: 3.61280
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 56.9

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)(C)C

Technology Process of 2,2-Dimethylheptane

There total 11 articles about 2,2-Dimethylheptane 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: 83.0%

2-chloro-2-methylheptene (4325-49-9) + dimethyldichlorotitanium(IV) (35739-70-9) → 2,2-dimethylheptane (1071-26-7)

Guidance literature:

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 3,5-dimethylheptane (926-82-9) + 3,4-dimethylheptane (922-28-1) + nonane (111-84-2) + 2-methyloctane (3221-61-2) + 3,3,4-trimethylhexane (16747-31-2) + 2,3,5-trimethylhexane (1069-53-0) + 3-ethyl-2-methyl-hexane (16789-46-1) + 2,2,4-trimethylhexane (16747-26-5) + 2,5-dimethylheptane (2216-30-0,132854-35-4) + 4-ethyl-2-methylhexane (3074-75-7) + 2,4-dimethylheptane (2213-23-2) + 4-methyloctane (2216-34-4) + 3-ethylheptane (15869-80-4) + 2,6-dimethylheptane (1072-05-5) + 3-methyloctane (2216-33-3,116783-15-4) + 2,3-dimethylheptane (3074-71-3) + 2,4-dimethyl-3-ethylpentane (1068-87-7) + 2,2,5-trimethylhexane (3522-94-9) + 2,2-dimethylheptane (1071-26-7)

Guidance literature:

propene; With water; at 25 - 40 ℃;

at 125 - 172 ℃; under 52505.3 Torr;

With hydrogen; 0.5% Pt/Al2O3;

Reference yield:

t-butyl bromide (507-19-7) → 2,2-dimethylheptane (1071-26-7)

Guidance literature:

With Petroleum ether;

upstream raw materials:

methyl magnesium iodide

2-chloro-2-methylheptene

pentanal

tert-butylmagnesium chloride

Downstream raw materials:

m-xylene