2-Methyl-1-heptanol

Base Information

• Chemical Name: 2-Methyl-1-heptanol
• CAS No.: 60435-70-3
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 809-896-5
• NSC Number: 9299
• DSSTox Substance ID: DTXSID001031422
• Nikkaji Number: J697.426K
• Mol file: 60435-70-3.mol

Synonyms:2-methyl-1-heptanol;60435-70-3;2-methylheptan-1-ol;1-Heptanol, 2-methyl;EC 809-896-5;NSC9299;SCHEMBL498066;DTXSID001031422;NSC 9299;NSC-9299;AKOS006274617;FT-0743392;A1-31708

Chemical Property of 2-Methyl-1-heptanol

Chemical Property:

• Vapor Pressure: 0.284mmHg at 25°C
• Melting Point: -112°C
• Refractive Index: 1.426
• Boiling Point: 179.2 °C at 760 mmHg
• PKA: 15.09±0.10(Predicted)
• Flash Point: 71.1 °C
• PSA: 20.23000
• Density: 0.821 g/cm³
• LogP: 2.19510
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methyl-1-heptanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)CO

Technology Process of 2-Methyl-1-heptanol

There total 41 articles about 2-Methyl-1-heptanol 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: 95.0%

2-methylhept-1-ene (15870-10-7) → 2-methyl-1-heptanol (60435-70-3)

Guidance literature:

2-methylhept-1-ene; With borane; In tetrahydrofuran; at 20 ℃; for 5h;

With sodium hydroxide; dihydrogen peroxide; at 20 ℃; for 2h;

DOI:10.1246/bcsj.75.111

Reference yield: 84.6%

methyl 2-methylheptanoate (51209-78-0) → 2-methyl-1-heptanol (60435-70-3)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 25 - 30 ℃; for 1h;

DOI:10.1007/s00044-016-1768-7

Reference yield: 82.0%

(S,S)-(+)-4-benzyl-3-(2-methylheptanoyl)oxazolidin-2-one → 2-methyl-1-heptanol (60435-70-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 3h;

upstream raw materials:

2-methyl-heptanoic acid ethyl ester

2-bromoheptane

methyl(dimesityl)borane

methyl 2-methylheptanoate

Downstream raw materials:

trimethyl-(2-methyl-heptyloxy)-silane

5-(2-Methyl-heptylsulfanyl)-1-phenyl-1H-tetrazole

carbon dioxide

(S)-(+)-2-methyl-1-heptanol

Refernces

• 1、 -. "CYCLIC PEPTIDE ANTIBIOTICS". . . Retrieved 2019/04/11.
• 2、 Fan, Yonghui,Li, Shenggang,Bao, Jingxian,Shi, Lei,Yang, Yanzhang,Yu, Fei,Gao, Peng,Wang, Hui,Zhong, Liangshu,Sun, Yuhan. "Hydrofunctionalization of olefins to value-added chemicals: Via photocatalytic coupling". supporting information. p. 3450 - 3456. Retrieved 2018/08/06.