3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol

Base Information

• Chemical Name: 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol
• CAS No.: 124937-73-1
• Molecular Formula: C17H20O2
• Molecular Weight: 256.345
• Hs Code.: 2909499000
• European Community (EC) Number: 815-987-0
• UNII: 7UH4HA2MDE
• DSSTox Substance ID: DTXSID50457328
• Mol file: 124937-73-1.mol

Synonyms:124937-73-1;3-(2-Methoxy-5-methylphenyl)-3-phenylpropan-1-ol;3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol;3-(2-Methoxy-5-methylphenyl)-3-phenylpropanol;7UH4HA2MDE;3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-ol;2-Methoxy-5-methyl-gamma-phenylbenzenepropanol;(3RS)-3-(2-Methoxy-5-methylphenyl)-3-phenylpropan-1-ol;Tolterodine Impurity A;UNII-7UH4HA2MDE;SCHEMBL615095;AMY8934;DTXSID50457328;OCGTUTJXBDQGKL-UHFFFAOYSA-N;BCP11952;MFCD08063882;Tolterodine tartrate impurity A [EP];AKOS015889798;AC-3468;AC-3471;CS-O-08321;DS-13711;CS-0334743;FT-0643034;A805327;Benzenepropanol, 2-methoxy-5-methyl-gamma-phenyl-;3-(2-methoxy-5-methylphenyl)-3-phenyl-1-propanol;Q-200328;TOLTERODINE TARTRATE IMPURITY A [EP IMPURITY];2-METHOXY-5-METHYL-.GAMMA.-PHENYLBENZENEPROPANOL;BENZENEPROPANOL, 2-METHOXY-5-METHYL-.GAMMA.-PHENYL-

Chemical Property of 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol

Chemical Property:

• Boiling Point: 413.8 °C at 760 mmHg
• PKA: 14.94±0.10(Predicted)
• Flash Point: 184.2 °C
• PSA: 29.46000
• Density: 1.066 g/cm³
• LogP: 3.51790
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 256.146329876
• Heavy Atom Count: 19
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-5-methyl-γ-phenylbenzenepropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)C(CCO)C2=CC=CC=C2
• Uses: 2-Methoxy-5-methyl-γ-phenylbenzenepropanol is a related compound to Tolterodine (T535795), a muscarinic receptor antagonist. Used in the treatment of urinary incontinence.

Technology Process of 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol

There total 10 articles about 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol 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: 100.0%

oxirane (75-21-8,99932-75-9) + (2-methoxy-5-methylphenyl)phenylmethane → 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol (124937-73-1)

Guidance literature:

oxirane; (2-methoxy-5-methylphenyl)phenylmethane; With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃; for 4h;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield: 97.0%

3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propionic acid (109089-77-2) → 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol (124937-73-1)

Guidance literature:

3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propionic acid; With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃;

With methanesulfonic acid; In tetrahydrofuran; at 20 - 70 ℃; Product distribution / selectivity;

Reference yield: 70.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-methoxy-4-methyl-2-(1-phenyl-vinyl)-benzene (389068-20-6) → 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol (124937-73-1)

Guidance literature:

With ferric(III) bromide; isopropyl alcohol; In dichloromethane; at 75 ℃; for 12h; regioselective reaction;

DOI:10.1002/anie.201602130

upstream raw materials:

oxirane

3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propionic acid

6-methyl-4-phenyl-3,4-dihydrocoumarin

2-methoxy-5-methylbenzaldehyde

Downstream raw materials:

N,N-diiso-propyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamine

N,N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine hydrochloride

3-(2-methoxy-5-methylphenyl)-3-phenylpropyl-methanesulfonate

toluene-4-sulfonic acid-3-(2-methoxy-5-methyl-phenyl)-3-phenyl propyl ester

Refernces

• 1、 Zheng, Yan-Long,Liu, Yan-Yao,Wu, Yi-Mei,Wang, Yin-Xia,Lin, Yu-Tong,Ye, Mengchun. "Iron-catalyzed regioselective transfer hydrogenative couplings of unactivated aldehydes with simple alkenes". supporting information. p. 6315 - 6318. Retrieved 2016/05/24.
• 2、 -. "IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF". Page/Page column 6. . Retrieved 2010/09/17.