Dimethoxytolyl Propylresorcinol

Base Information

• Chemical Name: Dimethoxytolyl Propylresorcinol
• CAS No.: 869743-37-3
• Molecular Formula: C18H22O4
• Molecular Weight: 302.37
• UNII: 4OD5GIH1UK
• ChEMBL ID: CHEMBL4778866
• DSSTox Substance ID: DTXSID201021215
• Nikkaji Number: J2.623.271F
• Wikidata: Q27260290
• Mol file: 869743-37-3.mol

Synonyms:Nivitol;Dimethoxytolyl Propylresorcinol;869743-37-3;4OD5GIH1UK;UNII-4OD5GIH1UK;4-(3-(2,4-dimethoxy-3-methylphenyl)propyl)benzene-1,3-diol;Dimethoxytolyl propylresorcinol [INCI];4-[3-(2,4-Dimethoxy-3-methylphenyl)propyl]-1,3-benzenediol;1,3-Benzenediol, 4-(3-(2,4-dimethoxy-3-methylphenyl)propyl)-;4-[3-(2,4-dimethoxy-3-methylphenyl)propyl]benzene-1,3-diol;4-(3-(2,4-Dimethoxy-3-methylphenyl)propyl)-1,3-benzenediol;SCHEMBL660642;CHEMBL4778866;BDBM473792;DTXSID201021215;AMY14161;BCP34636;EX-A4781;AKOS032961544;US10857082, Compound UP302a;Q27260290;1-(3-methyl-2,4-dimethoxyphenyl)-3-(2',4'-dihydroxyphenyl)-propane

Chemical Property of Dimethoxytolyl Propylresorcinol

Chemical Property:

• PSA: 58.92000
• LogP: 3.59870
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 302.15180918
• Heavy Atom Count: 22
• Complexity: 322

Purity/Quality:

99%, ^*data from raw suppliers

Nivitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1OC)CCCC2=C(C=C(C=C2)O)O)OC
• Uses: Nivitol is a miscellaneous reagent used in synthesis of a novel tyrosinase inhibitor which acts as a melanin inhibitor.

Technology Process of Dimethoxytolyl Propylresorcinol

There total 8 articles about Dimethoxytolyl Propylresorcinol 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: 93.9%

1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one (1400999-35-0) → 1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propane (869743-37-3)

Guidance literature:

1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one; With sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; at 0 ℃; for 18.5h; Inert atmosphere; Reflux; Industry scale;

With hydrogenchloride; water; In tetrahydrofuran; at 0 - 5 ℃; for 0.5h; Industry scale;

Reference yield: 60.0%

1-(3-(2,4-diisopropdxyphenyl)propyl)-2,4-dimethoxy-3-methylbenzene (1400999-45-2) → 1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propane (869743-37-3)

Guidance literature:

1-(3-(2,4-diisopropdxyphenyl)propyl)-2,4-dimethoxy-3-methylbenzene; With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

With water; ammonium chloride; In dichloromethane; at 0 - 5 ℃;

Reference yield:

C34H38O6 → 1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propane (869743-37-3)

Guidance literature:

With palladium on activated carbon; hydrogen; In tetrahydrofuran; for 18h;

upstream raw materials:

2',4'-dihydroxy-4-acetophenone

2,4-bis(benzyloxy)acetophenone

(E)-1-(2,4-bis(benzyloxy)phenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one

1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one

Refernces

• 1、 -. "A 2, 4 - dimethoxy - tolyl -4 - propyl resorcinol synthesis method (by machine translation)". Paragraph 0030; 0032; 0033; 0035. . Retrieved 2018/10/02.