1-Phenyl-1-heptanol

Base Information

• Chemical Name: 1-Phenyl-1-heptanol
• CAS No.: 614-54-0
• Molecular Formula: C13H20 O
• Molecular Weight: 192.301
• NSC Number: 67900
• DSSTox Substance ID: DTXSID10915474
• Nikkaji Number: J94.888H
• Mol file: 614-54-0.mol

Synonyms:1-phenyl-1-heptanol;1-phenylheptan-1-ol;614-54-0;1-Heptanol, phenyl-;phenyl heptanol;Hexylphenylcarbinol;NSC67900;1-Phenyl-heptan-1-ol;Alpha-n-hexyl benzyl alcohol;SCHEMBL405975;DTXSID10915474;UAJVCELPUNHGKE-UHFFFAOYSA-N;NSC-67900;AKOS011020927;94505-25-6

Chemical Property of 1-Phenyl-1-heptanol

Chemical Property:

• Vapor Pressure: 0.00308mmHg at 25°C
• Refractive Index: 1.5024
• Boiling Point: 271.9°C at 760 mmHg
• Flash Point: 124.3°C
• PSA: 20.23000
• Density: 0.947g/cm³
• LogP: 3.69040
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

1-PHENYL-1-HEPTANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C1=CC=CC=C1)O

Technology Process of 1-Phenyl-1-heptanol

There total 128 articles about 1-Phenyl-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: 96.0%

Heptanophenone (1671-75-6) → 1-phenylheptan-1-ol (614-54-0)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 36h;

DOI:10.1002/adsc.201800711

Reference yield: 93.0%

heptanal (111-71-7) + phenylboronic acid (98-80-6) → (R)-1-phenylheptanol (614-54-0,88641-30-9,122210-00-8,89537-69-9)

Guidance literature:

With CH₂CH₂O(C₁₀H₅O)4H₂P₂N₂(CH₃)4; (p-cymene)ruthenium(II) chloride; potassium carbonate; In water; toluene; at 60 ℃; for 16h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.3390/molecules16065020

Reference yield: 90.0%

Heptanophenone (1671-75-6) → (R)-1-phenylheptanol (614-54-0,88641-30-9,122210-00-8,89537-69-9) + (S)-(-)-1-phenyl-1-heptanol (614-54-0,89537-69-9,122210-00-8,88641-30-9)

Guidance literature:

Heptanophenone; With C₃₂H₄₁CrN₃O₂Si; C₇H₁₄O₄Si; In toluene; at -40 - 20 ℃; for 2h;

With potassium carbonate; In methanol; for 1h; enantioselective reaction;

DOI:10.1039/c8cc05172k

upstream raw materials:

heptanal

n-hexylmagnesium bromide

benzaldehyde

vinyl phenyl selenide

Downstream raw materials:

(S)-(-)-1-phenyl-1-heptanol

Heptanophenone

(R)-1-phenylheptanol

(S)-(-)-1-phenyl-1-heptanol acetate

Refernces

• 1、 Yoshii, Daichi,Yatabe, Takafumi,Yabe, Tomohiro,Yamaguchi, Kazuya. "C(sp3)-H selective benzylic borylation by in situ reduced ultrasmall Ni species on CeO2". . p. 2150 - 2155. Retrieved 2021/02/20.
• 2、 Nikitas, Nikolaos F.,Tzaras, Dimitrios Ioannis,Triandafillidi, Ierasia,Kokotos, Christoforos G.. "Photochemical oxidation of benzylic primary and secondary alcohols utilizing air as the oxidant". . p. 471 - 477. Retrieved 2020/02/13.