2-Methyl-1-phenylpropan-1-ol

Base Information

• Chemical Name: 2-Methyl-1-phenylpropan-1-ol
• CAS No.: 611-69-8
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2906299090
• European Community (EC) Number: 210-274-5
• NSC Number: 179428,24661
• UNII: N7GFX492KL
• DSSTox Substance ID: DTXSID80870687
• Nikkaji Number: J135.612G
• Mol file: 611-69-8.mol

Synonyms:2-Methyl-1-phenylpropan-1-ol;611-69-8;2-Methyl-1-phenyl-1-propanol;.alpha.-Isopropylbenzyl alcohol;Isopropylphenylcarbinol;1-Phenyl-2-methylpropyl alcohol;Benzenemethanol, .alpha.-(1-methylethyl)-;2-methyl-1-phenylpropanol;N7GFX492KL;1-hydroxy-2-methyl-1-phenylpropane;EINECS 210-274-5;NSC-24661;AI3-04248;Benzenemethanol, alpha-(1-methylethyl)-, (R)-;phenylisopropylcarbinol;a-Isopropylbenzyl alcohol;Isopropyl phenyl carbinol;Benzenemethanol, .alpha.-(1-methylethyl)-, (R)-;1-phenyl-2-methylpropanol;UNII-N7GFX492KL;(-)-phenylisobutyl alcohol;SCHEMBL765762;1-phenyl-2-methyl-1-propanol;1-Propanol, 2-methyl-1-phenyl;DTXSID80870687;NSC24661;MFCD00065000;NSC 24661;NSC179428;AKOS009158541;NSC-179428;SB45961;Benzenemethanol, alpha-(1-methylethyl)-;AS-59609;CS-0205944;FT-0605095;FT-0605211;(+/-)-.ALPHA.-ISOPROPYLBENZENEMETHANOL;.ALPHA.-(1-METHYLETHYL)BENZENEMETHANOL;F87376;EN300-1229555;A868790;2-Hydroxy-4-oxo-tricyclo[4.2.1.03.7]nonan-5-one

Chemical Property of 2-Methyl-1-phenylpropan-1-ol

Chemical Property:

• Refractive Index: 1.5130
• Boiling Point: 124-125°C/15mm
• PKA: 14.29±0.20(Predicted)
• Flash Point: 124-125°C/15mm
• PSA: 20.23000
• Density: 0.964
• LogP: 2.37600
• Storage Temp.: 2-8°C
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-1-phenyl-1-propanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C1=CC=CC=C1)O
• Uses: It is used in the large-scale preparation of (R)-and (S)-1-(2, 4, 6-triisopropylphenyl) ethanol and also in the baker's yeast mediated asymmetric reduction of cinnamaldehyde derivatives.

Technology Process of 2-Methyl-1-phenylpropan-1-ol

There total 125 articles about 2-Methyl-1-phenylpropan-1-ol 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: 99.0%

methanol (67-56-1) + 1-Phenyl-1-propanol (93-54-9) → rac-2-methyl-1-phenylpropan-1-ol (611-69-8)

Guidance literature:

With C₂₄H₂₄IrN₄O₄⁽¹⁺⁾*BF₄^(1-); sodium t-butanolate; at 140 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1007/s11426-021-1017-0

Reference yield: 99.0%

methanol (67-56-1) + 1-Phenylethanol (98-85-1,13323-81-4) → rac-2-methyl-1-phenylpropan-1-ol (611-69-8)

Guidance literature:

With C₂₄H₂₄IrN₄O₄⁽¹⁺⁾*BF₄^(1-); sodium t-butanolate; at 140 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1007/s11426-021-1017-0

Reference yield: 88.0%

C17H19NO2 → rac-2-methyl-1-phenylpropan-1-ol (611-69-8)

Guidance literature:

With methanol; copper (I) acetate; In chloroform; at 20 ℃; for 120h;

DOI:10.1016/S0040-4039(99)00332-9

upstream raw materials:

1,4-dioxane

1,1-Diphenylmethanol

aluminum tri-tert-butoxide

phenyl isopropyl ketone

Downstream raw materials:

(+/-)-phthalic acid mono-(2-methyl-1-phenyl-propyl ester)

2-methyl-1-phenyl-propylamine

(2-methyl-1-propenyl)-benzene

rac-1-chloro-2-methyl-1-phenylpropane

Refernces

• 1、 Van Den Ancker, Tania R.,Hodgson, Margaret J.. "Arene catalysed sodium reactions". . p. 2869 - 2870. Retrieved 1999.
• 2、 Nowok, Andrzej,Jurkiewicz, Karolina,Dulski, Mateusz,Hellwig, Hubert,Ma?ecki, Jan G.,Grzybowska, Katarzyna,Grelska, Joanna,Pawlus, Sebastian. "Influence of molecular geometry on the formation, architecture and dynamics of H-bonded supramolecular associates in 1-phenyl alcohols". . . Retrieved 2021.
• 3、 Liu, Shiyuan,Lu, Yao,Song, Ao,Wang, Mingchun,Wang, Rongzhou,Xing, Ling-Bao. "Iridium-catalyzed synthesis of β-methylated secondary alcohols using methanol". . p. 90 - 96. Retrieved 2022/02/14.
• 4、 Oestreich, Martin,Seliger, Jan. "Dynamic Kinetic Resolution of Alcohols by Enantioselective Silylation Enabled by Two Orthogonal Transition-Metal Catalysts". supporting information. p. 247 - 251. Retrieved 2020/10/29.