alpha-Butylphenethyl acetate

Base Information

Chemical Name:alpha-Butylphenethyl acetate
CAS No.:40628-77-1
Deprecated CAS:145119-79-5
Molecular Formula:C14H20O2
Molecular Weight:220.3074
Hs Code.:
European Community (EC) Number:255-009-4
DSSTox Substance ID:DTXSID20885811
Nikkaji Number:J294.720J
Mol file:40628-77-1.mol

Synonyms:alpha-Butylphenethyl acetate;40628-77-1;EINECS 255-009-4;Benzeneethanol, alpha-butyl-, acetate;Benzeneethanol, .alpha.-butyl-, acetate;Benzeneethanol, alpha-butyl-, 1-acetate;alpha-Butylbenzeneethanol acetate;DTXSID20885811;Benzeneethanol, .alpha.-butyl-, 1-acetate

Suppliers and Price of alpha-Butylphenethyl acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of alpha-Butylphenethyl acetate

Chemical Property:

Boiling Point:299.2°Cat760mmHg
Flash Point:109.6°C
PSA：26.30000
Density:0.978g/cm³
LogP:3.35100
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:220.146329876
Heavy Atom Count:16
Complexity:195

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CC1=CC=CC=C1)OC(=O)C

Technology Process of alpha-Butylphenethyl acetate

There total 4 articles about alpha-Butylphenethyl acetate 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:

: C₁₄H₁₈O₂

: 40628-77-1
(S)-1-phenylhexan-2-yl acetate

Guidance literature:: With C₃₁H₄₈O₃P₂*BF₄^(1-)*Rh⁽¹⁺⁾*C₇H₈; hydrogen; In 1,2-dichloro-ethane; at 40 ℃; for 24h; under 3000.3 Torr; enantioselective reaction;
DOI:10.1021/acscatal.6b00282

Reference yield:

: (Z)-1-iodohex-1-en-2-yl acetate

: 40628-77-1
(S)-1-phenylhexan-2-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydroxide / toluene / 12 h / 80 °C

2: C₃₁H₄₈O₃P₂*BF₄^(1-)*Rh⁽¹⁺⁾*C₇H₈; hydrogen / 1,2-dichloro-ethane / 24 h / 40 °C / 3000.3 Torr

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; C₃₁H₄₈O₃P₂*BF₄^(1-)*Rh⁽¹⁺⁾*C₇H₈; hydrogen; sodium hydroxide; In 1,2-dichloro-ethane; toluene; 1: |Suzuki Coupling;
DOI:10.1021/acscatal.6b00282

Reference yield:

: 1119-67-1
1-iodo-1-hexyne

: 40628-77-1
(S)-1-phenylhexan-2-yl acetate

Guidance literature:: Multi-step reaction with 3 steps

1: triphenylphosphinegold(I) hexafluorophosphate / toluene / 5 h / 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydroxide / toluene / 12 h / 80 °C

3: C₃₁H₄₈O₃P₂*BF₄^(1-)*Rh⁽¹⁺⁾*C₇H₈; hydrogen / 1,2-dichloro-ethane / 24 h / 40 °C / 3000.3 Torr

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylphosphinegold(I) hexafluorophosphate; C₃₁H₄₈O₃P₂*BF₄^(1-)*Rh⁽¹⁺⁾*C₇H₈; hydrogen; sodium hydroxide; In 1,2-dichloro-ethane; toluene; 2: |Suzuki Coupling;
DOI:10.1021/acscatal.6b00282