2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetyl chloride

Base Information

• Chemical Name: 2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetyl chloride
• CAS No.: 15356-62-4
• Molecular Formula: C12H21 Cl O2
• Molecular Weight: 232.751
• Hs Code.: 29181990
• European Community (EC) Number: 621-293-7
• Nikkaji Number: J149.661A
• Mol file: 15356-62-4.mol

Synonyms:15356-62-4;(-)-Menthoxyacetyl chloride;2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride;Acetyl chloride, [[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-;2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetyl chloride;(-)-Menthoxyacetylchloride;(-)-Methoxyacetyl chloride;(--)-Menthoxyacetylchlorid;SCHEMBL717418;(-)-Menthoxyacetyl chloride, 97%;MFCD00044947;AKOS022175645;2-[[(1R)-2ALPHA-ISOPROPYL-5BETA-METHYLCYCLOHEXANE-1BETA-YL]OXY]ACETYL CHLORIDE;M0571;J-009029;2-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy)acetyl chloride

Chemical Property of 2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetyl chloride

Chemical Property:

• Vapor Pressure: 0.00189mmHg at 25°C
• Refractive Index: n20/D 1.469(lit.)
• Boiling Point: 136 °C / 12mmHg
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 1.033 g/mL at 25 °C(lit.)
• LogP: 3.22920
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 232.1230076
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

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

(-)-Menthoxyacetyl Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)OCC(=O)Cl)C(C)C
• Isomeric SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)Cl)C(C)C

Technology Process of 2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetyl chloride

There total 4 articles about 2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetyl chloride 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: 67.0%

chloroacetic acid (79-11-8) → L-menthoxyacetyl chloride (15356-62-4)

Guidance literature:

With thionyl chloride; at 50 ℃; for 3h;

DOI:10.1007/s11243-014-9830-0

Reference yield:

menthoxyacetic acid (40248-63-3) → L-menthoxyacetyl chloride (15356-62-4)

Guidance literature:

With thionyl chloride;

DOI:10.1246/bcsj.40.359 DOI:10.1021/ja01325a027

Reference yield:

(-)-menthol (2216-51-5) → L-menthoxyacetyl chloride (15356-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium / toluene

2: thionyl chloride / N,N-dimethyl-formamide

With thionyl chloride; sodium; In N,N-dimethyl-formamide; toluene;

DOI:10.1002/pola.26350

upstream raw materials:

menthoxyacetic acid

(-)-menthol

chloroacetic acid

Downstream raw materials:

methyl L-menthoxyacetate

3,4-dihydro-8-<3'-(N-isopropyl-N-L-menthoxyacetyl)amino-2'-L-menthoxyacetyl>propoxy-3-nitroxy-2H-1-benzopyran

3,4-dihydro-8-<3'-(N-isopropyl-N-L-menthoxyacetyl)amino-2'(S)-L-menthoxyacetyl>propoxy-3(S)-nitroxy-2H-1-benzopyran

3,4-dihydro-8-<3'-(N-isopropyl-N-L-menthoxyacetyl)amino-2'(R)-L-menthoxyacetyl>propoxy-3(R)-nitroxy-2H-1-benzopyran

Refernces

• 1、 Barret, Marie C.,Bhatia, Purvi H.,Kociok-Koehn, Gabriele,Molloy, Kieran C.. "New copper(II) 2-(alkylamino)troponates". . p. 543 - 551. Retrieved 2014/08/05.
• 2、 Ma, Tao,Gao, Qi,Chen, Zhiwei,Wang, Lin,Liu, Gang. "Chemical resolution of (±)-calanolide A, (±)-cordatolide A and their 11-demethyl analogues". . p. 1079 - 1083. Retrieved 2008/12/20.