N-tert-butyl-2-methoxybenzamide

Base Information

• Chemical Name: N-tert-butyl-2-methoxybenzamide
• CAS No.: 88105-14-0
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80408601
• Nikkaji Number: J2.721.718D
• Wikidata: Q82214126
• Mol file: 88105-14-0.mol

Synonyms:N-tert-butyl-2-methoxybenzamide;88105-14-0;N-(tert-Butyl)-2-methoxybenzamide;SCHEMBL9963899;DTXSID80408601;MFCD00751503;AKOS000392214;SB77129;BS-23806;CS-0213424;A862321

Chemical Property of N-tert-butyl-2-methoxybenzamide

Chemical Property:

• Vapor Pressure: 0.000106mmHg at 25°C
• Boiling Point: 337.2oC at 760 mmHg
• Flash Point: 157.7oC
• PSA: 38.33000
• Density: 1.019g/cm3
• LogP: 2.61440
• Storage Temp.: Room temperature.
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

95% ^*data from raw suppliers

N-tert-Butyl-2-methoxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-tert-butyl-2-methoxybenzamide

There total 14 articles about N-tert-butyl-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: 90.0%

2-tert-Butyl-3-(2-methoxy-phenyl)-oxaziridine (128072-71-9) → (2-methoxyphenyl)-tert-butylamino-methanone (88105-14-0)

Guidance literature:

With trifluoroacetic acid; 9?mesityl-10-methylacridinium perchlorate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1039/d1cc03855a

Reference yield: 80.0%

acetic acid tert-butyl ester (540-88-5) + 2-methoxy-benzonitrile (6609-56-9) → (2-methoxyphenyl)-tert-butylamino-methanone (88105-14-0)

Guidance literature:

With sulfuric acid; In acetic acid; at 20 ℃; Inert atmosphere; Enzymatic reaction;

DOI:10.1021/jo8024797

Reference yield: 75.0%

2-Methoxybenzoic acid (579-75-9) + tert-butylamine (75-64-9) → (2-methoxyphenyl)-tert-butylamino-methanone (88105-14-0)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1002/ejoc.200600702

upstream raw materials:

2-Methoxybenzoic acid

tert-butylamine

N-(2-methoxybenzoyl)-N-phenylhydroxylamine

2-methoxybenzohydroxamic acid

Downstream raw materials:

N-tert-Butyl-2-methoxy-6-methylsulfanyl-benzamide

N-(1,1-dimethylethyl)-6-methoxy-2-(methylsulfinyl)benzamide

N-tert-butyl-2-(2,4-dihydroxy-butyl)-6-methoxy-benzamide

(+/-)-8-methoxy-3-propyl-3,4-dihydro-1H-2-benzopyran-1-one

Refernces

• 1、 Dolai, Gobinda,Giri, Rajat Subhra,Mandal, Bhubaneswar,Roy, Sayanta,Sen, Srijit. "Crystal structure of 1-(2,4,6-trichlorobenzoyloxy) benzotriazole (TCB-OBt): observation of uncommon intermolecular oxygen-oxygen interaction and synthetic application in amidation". . p. 19804 - 19811. Retrieved 2021/11/12.
• 2、 Milne, Jacqueline E.,Baum, Jean C.. "An efficient and scalable ritter reaction for the synthesis of t-butyl amides". . p. 519 - 526. Retrieved 2014/04/17.