1-Methylcycloheptanol

Base Information

• Chemical Name: 1-Methylcycloheptanol
• CAS No.: 3761-94-2
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• European Community (EC) Number: 223-179-9
• NSC Number: 100735
• DSSTox Substance ID: DTXSID70191050
• Nikkaji Number: J217.657B
• Wikidata: Q83063535
• Mol file: 3761-94-2.mol

Synonyms:1-Methylcycloheptanol;3761-94-2;1-Methylcycloheptan-1-ol;Cycloheptanol, 1-methyl-;1-Methylcycloheptanol-1;EINECS 223-179-9;NSC100735;Methylcycloheptanol-1;1-Methyllcycloheptanol;1-methyl cycloheptanol;SCHEMBL353978;DTXSID70191050;MFCD00021672;AKOS009158338;NSC 100735;NSC-100735;SB84206;AS-57609;CS-0309091;FT-0608026;D93172;EN300-156453;A874055;Z449370874

Chemical Property of 1-Methylcycloheptanol

Chemical Property:

• Vapor Pressure: 0.21mmHg at 25°C
• Refractive Index: 1.4720
• Boiling Point: 184.4°Cat760mmHg
• Flash Point: 71.6°C
• PSA: 20.23000
• Density: 0.918g/cm³
• LogP: 2.09160
• Water Solubility.: Insoluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

1-Methylcycloheptanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CC1(CCCCCC1)O
• Uses: 1-Methylcycloheptanol, is used as an pharmaceutical and chemical intermediate.

Technology Process of 1-Methylcycloheptanol

There total 15 articles about 1-Methylcycloheptanol 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%

methyllithium (917-54-4) + cycloheptanone (502-42-1) → 1-methylcycloheptanol (3761-94-2)

Guidance literature:

In diethyl ether; at -78 ℃;

DOI:10.1002/chem.200801579

Reference yield: 66.0%

methylmagnesium bromide (75-16-1) + cycloheptanone (502-42-1) → 1-methylcycloheptanol (3761-94-2)

Guidance literature:

methylmagnesium bromide; In diethyl ether; at 20 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

cycloheptanone; In diethyl ether; at 0 - 20 ℃; for 15h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c02513

Reference yield:

methyl magnesium iodide (917-64-6) + cycloheptanone (502-42-1) → 1-methylcycloheptanol (3761-94-2)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01512a036

upstream raw materials:

methyl magnesium iodide

cycloheptanone

(1-methylcyclohexyl)methanamine

methyl iodide

Downstream raw materials:

1-Methyl-cycloheptylamin-(1)

1-methylcycloheptene

methylenecycloheptane

1-ethylcyclohexane-1-carboxylic acid

Refernces

• 1、 Betley, Theodore A.,Clarke, Ryan M.,Dong, Yuyang,Porter, Gerard J.. "Efficient C-H Amination Catalysis Using Nickel-Dipyrrin Complexes". supporting information. p. 10996 - 11005. Retrieved 2020/07/08.
• 2、 Guo, Qihang,Ren, Xiang,Lu, Zhan. "Controllable Intramolecular Unactivated C(sp3)-H Amination and Oxygenation of Carbamates". supporting information. p. 880 - 884. Retrieved 2019/05/16.