N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzamide

Base Information

• Chemical Name: N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzamide
• CAS No.: 74201-13-1
• Molecular Formula: C12H17 N O3
• Molecular Weight: 223.272
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20377322
• Nikkaji Number: J1.642.439K
• Wikidata: Q82166498
• Mol file: 74201-13-1.mol

Synonyms:74201-13-1;N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzamide;N-(2-hydroxy-1,1-dimethylethyl)-2-methoxybenzenecarboxamide;N-(2-hydroxy-1,1-dimethylethyl)-2-methoxybenzamide;Bionet2_000819;Oprea1_589974;SCHEMBL8434080;DTXSID20377322;SQTHWPXDNQJION-UHFFFAOYSA-N;HMS1366F05;AB7330;MFCD00665208;STK055319;AKOS000278508;SB79641;CS-0312954;FT-0680505;6J-910;A865940;J-522774;N-(1-Hydroxy-2-methyl-prop-2-yl)-2-methoxy-benzoic acid amide

Chemical Property of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzamide

Chemical Property:

• Vapor Pressure: 3.91E-07mmHg at 25°C
• Melting Point: 129-131°C
• Boiling Point: 400.5°C at 760 mmHg
• Flash Point: 196°C
• PSA: 58.56000
• Density: 1.111g/cm³
• LogP: 1.58680
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-Hydroxy-1,1-dimethylethyl)-2-methoxybenzenecarboxamide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)NC(=O)C1=CC=CC=C1OC

Technology Process of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzamide

There total 1 articles about N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzamide 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-Methoxybenzoic acid (579-75-9) → N-(2-hydroxy-1,1-dimethyl)-2-methoxybenzamide (74201-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: SOCl₂

With thionyl chloride;

DOI:10.1021/jm00183a003

Reference yield:

N-(2-hydroxy-1,1-dimethyl)-2-methoxybenzamide (74201-13-1) → N-(triphenylmethyl)-5-<4'-(bromomethyl)biphenyl-2-yl>tetrazole (133051-88-4)

Guidance literature:

Multi-step reaction with 5 steps

1: thionyl chloride / 1 h / 25 °C

2: tetrahydrofuran / 2 h / 20 °C

3: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C

4: 1.) tributyltin chloride, sodium azide, 2.) 10 N aq. sodium hydroxide / 1.) toluene, reflux, 70 h, 20 deg C, 3 h

5: 92 percent / N-bromosuccinimide, dibenzoyl peroxide / CCl₄ / 3 h / Heating

With pyridine; sodium hydroxide; N-Bromosuccinimide; thionyl chloride; sodium azide; tributyltin chloride; trichlorophosphate; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane;

DOI:10.1021/jm00112a031

Reference yield:

N-(2-hydroxy-1,1-dimethyl)-2-methoxybenzamide (74201-13-1) → 2-n-butyl-4-chloro-1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl]-1H-imidazole-5-methanol (133909-99-6)

Guidance literature:

Multi-step reaction with 6 steps

1: thionyl chloride / 1 h / 25 °C

2: tetrahydrofuran / 2 h / 20 °C

3: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C

4: N-bromosuccinimide, dibenzoyl peroxide / CCl₄ / 3 h / Heating

5: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h

With pyridine; N-Bromosuccinimide; thionyl chloride; sodium methylate; trichlorophosphate; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane;

DOI:10.1021/jm00112a031

upstream raw materials:

2-Methoxybenzoic acid

Downstream raw materials:

2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

4,4-dimethyl-2-<2'-methoxy(1,1'-biphenyl)-2-yl>oxazoline

2-(4-methylphenyl)benzaldehyde

o-tolylbenzoic acid

Refernces

• 1、 Carini, David J.,Duncia, John V.,Aldrich, Paul E.,Chiu, Andrew T.,Johnson, Alexander L.,et al.. "Nonpeptide Angiotensin II Receptor Antagonists: The Discovery of a Series of N-(Biphenylylmethyl)imidazoles as Potent, Orally Active Antihypertensives". . p. 2525 - 2547. Retrieved 2007/10/02.