Tastromine

Base Information

• Chemical Name: Tastromine
• CAS No.: 91-46-3
• Molecular Formula: C14H23NO
• Molecular Weight: 221.343
• DSSTox Substance ID: DTXSID70238353
• Nikkaji Number: J4.340K
• Wikidata: Q83120658
• ChEMBL ID: CHEMBL1624619

Synonyms:Tastromine;Anam-Okazaki substance;91-46-3;WV 351;BRN 3259721;p-Cymene, 3-(2-(dimethylamino)ethoxy)-;N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;beta-(N,N-Dimethylamino)-2-isopropyl-5-methylphenetole;2-(2-Isopropyl-5-methylphenoxy)-N,N-dimethylethan-1-amine;4-06-00-03341 (Beilstein Handbook Reference);C14H23NO;Ethanamine, N,N-dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)-;Phenetole,;starbld0009267;Cambridge id 7335609;CHEMBL1624619;SCHEMBL10493570;DTXSID70238353;AKOS002774377;NCGC00245665-01;Ethylamine, N,N-dimethyl-2-(thymyloxy)-;LS-103810;Ethylamine, N,N-dimethyl-2-(thymyloxy)- (6CI,8CI);Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-

Chemical Property of Tastromine

Chemical Property:

• Vapor Pressure: 0.000667mmHg at 25°C
• Boiling Point: 308.8°C at 760 mmHg
• Flash Point: 91.1°C
• Density: 0.935g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 221.177964357
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)OCCN(C)C

Technology Process of Tastromine

There total 5 articles about Tastromine 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:

2-(N,N-dimethylamino)ethanol (108-01-0) + thymol (89-83-8) + Diethyl carbonate (105-58-8,76619-83-5) → 2-(isopropyl)-5-methylphenyl ethyl ether (4732-12-1) + 2-(2-isopropyl-5-methylphenoxy)-N,N-dimethylethanamine (91-46-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 200 ℃; for 8h; under 12001.2 Torr; Autoclave;

DOI:10.1002/ejoc.202100328

Reference yield:

2-(dimethylamino)ethyl ethyl carbonate (1391906-41-4) + thymol (89-83-8) → 2-(2-isopropyl-5-methylphenoxy)-N,N-dimethylethanamine (91-46-3)

Guidance literature:

In acetonitrile; at 200 ℃; for 8h; under 12001.2 Torr; Autoclave;

DOI:10.1002/ejoc.202100328

Reference yield:

2-(dimethylamino)ethyl chloride (107-99-3) → 2-(2-isopropyl-5-methylphenoxy)-N,N-dimethylethanamine (91-46-3)

Guidance literature:

DOI:10.1021/ja01125a050

upstream raw materials:

(2-chloro-ethyl)-(2-isopropyl-5-methyl-phenyl)-ether

dimethyl amine

2-(dimethylamino)ethyl chloride

sodium 5-methyl-2-(1-methylethyl)phenolate

Downstream raw materials:

C₄₄H₇₈N₂O₂⁽²⁺⁾*2Br^(1-)

C₃₈H₆₆N₂O₂⁽²⁺⁾*2Br^(1-)

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