[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate

Base Information

• Chemical Name: [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate
• CAS No.: 72152-81-9
• Molecular Formula: C18H22O2
• Molecular Weight: 270.3661
• Wikidata: Q76280084
• Mol file: 72152-81-9.mol

Synonyms:Carvyl phenylacetate;[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate;72152-81-9

Chemical Property of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate

Chemical Property:

• Vapor Pressure: 1.43E-05mmHg at 25°C
• Boiling Point: 366.8°Cat760mmHg
• Flash Point: 169.6°C
• PSA: 26.30000
• Density: 1.03g/cm³
• LogP: 4.07330
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(CC1OC(=O)CC2=CC=CC=C2)C(=C)C
• Isomeric SMILES: CC1=CC[C@H](C[C@H]1OC(=O)CC2=CC=CC=C2)C(=C)C

Technology Process of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate

There total 4 articles about [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate 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:

d-limonene (138-86-3,5989-27-5,5989-54-8,7705-14-8,555-08-8,8022-90-0,9003-73-0,95327-98-3) → cis-Carvyl phenylacetate (72152-81-9,74431-25-7,93602-79-0,93602-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / t-butyl hypochlorite / 4 h / Ambient temperature

2: 1) zinc oxide / 1) benzene, reflux, 2 h (or with zinc carbonate) 2) pyridine, reflux, 12 h

With tert-butylhypochlorite; zinc(II) oxide;

Reference yield:

d-limonene (138-86-3,5989-27-5,5989-54-8,7705-14-8,555-08-8,8022-90-0,9003-73-0,95327-98-3) → trans-Carvyl phenylacetate (72152-81-9,74431-25-7,93602-79-0,93602-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / t-butyl hypochlorite / 4 h / Ambient temperature

2: 1) zinc oxide / 1) benzene, reflux, 2 h (or with zinc carbonate) 2) pyridine, reflux, 12 h

With tert-butylhypochlorite; zinc(II) oxide;

Reference yield:

phenylacetic acid (103-82-2) + trans-6-chloro-p-mentha-1,8-diene (30808-80-1,71305-95-8,71305-98-1,83867-60-1,98975-99-6) → cis-Carvyl phenylacetate (72152-81-9,74431-25-7,93602-79-0,93602-80-3) + trans-Carvyl phenylacetate (72152-81-9,74431-25-7,93602-79-0,93602-80-3)

Guidance literature:

With zinc(II) oxide; Yield given. Multistep reaction. Yields of byproduct given; 1) benzene, reflux, 2 h (or with zinc carbonate) 2) pyridine, reflux, 12 h;

upstream raw materials:

phenylacetic acid

trans-6-chloro-p-mentha-1,8-diene

d-limonene

Refernces