1-(4-Methoxyphenyl)-1-propanol

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-1-propanol
• CAS No.: 5349-60-0
• Deprecated CAS: 107298-28-2
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 2909499000
• European Community (EC) Number: 226-315-5
• NSC Number: 406923,1264
• DSSTox Substance ID: DTXSID40884149
• Nikkaji Number: J28.530G
• Mol file: 5349-60-0.mol

Synonyms:1-(4-methoxyphenyl)propan-1-ol;5349-60-0;1-(4-Methoxyphenyl)-1-propanol;rac-1-(4'-Methoxyphenyl)propanol;Benzenemethanol, .alpha.-ethyl-4-methoxy-;NSC 1264;Benzyl alcohol, .alpha.-ethyl-p-methoxy-;4-methoxyphenylpropanol;NSC 406923;a-Ethyl-4-methoxy-benzenemethanol;(R)-1-(4-Methoxyphenyl)propanol;(S)-1-(4-Methoxyphenyl)propanol;alpha-Ethyl-p-methoxybenzyl alcohol;EINECS 226-315-5;Benzenemethanol, alpha-ethyl-4-methoxy-;AI3-09427;EC 226-315-5;73854-04-3;C(O)(CC)c1ccc(OC)cc1;SCHEMBL615718;DTXSID40884149;NSC1264;1-(4-Methoxyphenyl)-propan-1-ol;NSC-1264;ALPHA-ETHYL-P-ANISYL ALCOHOL;NSC406923;AKOS000125165;AKOS022257950;Benzyl alcohol, alpha-ethyl-p-methoxy-;NSC-406923;SB83928;FT-0622153;FT-0671345;EN300-73558;N12428;J-013896;Z228586320;rac-1-(4 inverted exclamation mark -Methoxyphenyl)propanol

Chemical Property of 1-(4-Methoxyphenyl)-1-propanol

Chemical Property:

• Melting Point: 25-26 °C
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 270.9°Cat760mmHg
• PKA: 14.49±0.20(Predicted)
• Flash Point: 113.2°C
• PSA: 29.46000
• Density: 1.032g/cm³
• LogP: 2.13860
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

99.9% ^*data from raw suppliers

rac-1-(4’-Methoxyphenyl)propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)OC)O
• Uses: rac-1-(4’-Methoxyphenyl)propanol (cas# 5349-60-0) is a compound useful in organic synthesis.

Technology Process of 1-(4-Methoxyphenyl)-1-propanol

There total 46 articles about 1-(4-Methoxyphenyl)-1-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%

diethylzinc (557-20-0) + 4-methoxy-benzaldehyde (123-11-5) → 1-(4-methoxyphenyl)-1-propanol (5349-60-0)

Guidance literature:

With (R,R)-(2,4,6-Me₃C₆H₂-CH=N-CH(Ph))2; (R)-(+)-3,3'-diphenyl-[1,1'-binaphthalene]-2,2'-diol; In hexane; dichloromethane; 1.) -78 deg C, 4 h, 2.) -20 deg, 1 h;

DOI:10.1002/(SICI)1521-3773(19990215)38:4<497::AID-ANIE497>3.0.CO;2-G

Reference yield: 98.7%

4-Methoxypropiophenone (121-97-1) → 1-(4-methoxyphenyl)-1-propanol (5349-60-0)

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; at 20 ℃; for 26h;

DOI:10.1002/jlcr.3329

Reference yield: 90.0%

1-bromo-4-methoxy-benzene (104-92-7) + propionaldehyde (123-38-6) + tri-n-butyllithium magnesate complex → 1-(4-methoxyphenyl)-1-propanol (5349-60-0)

Guidance literature:

1-bromo-4-methoxy-benzene; tri-n-butyllithium magnesate complex; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h;

propionaldehyde; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Further stages.;

DOI:10.1021/jo015597v

upstream raw materials:

ethylmagnesium iodide

4-methoxy-benzaldehyde

ethylmagnesium bromide

propionaldehyde

Downstream raw materials:

4-(1-bromo-propyl)-anisole

(+-)-1r-ethyl-5-methoxy-3c-(4-methoxy-phenyl)-2t-methyl-indan

E-1-(4'-methoxyphenyl)prop-1-ene

(E)-1-(4-methoxyphenyl)-3-morpholinoprop-2-en-1-one

Refernces

• 1、 Lauzon, Samuel,Ollevier, Thierry. "2,2′-Bipyridine-α,α′-trifluoromethyl-diol ligand: Synthesis and application in the asymmetric Et2Zn alkylation of aldehydes". supporting information. p. 11025 - 11028. Retrieved 2021/11/03.
• 2、 Zhang, Jinxia,Li, Shasha,Zheng, Xinxin,Li, Hongjie,Jiao, Peng. "Chiral zinc amidate catalyzed additions of diethylzinc to aldehydes". supporting information. p. 1913 - 1917. Retrieved 2019/06/24.