3'-Methylformanilide

Base Information

• Chemical Name: 3'-Methylformanilide
• CAS No.: 3085-53-8
• Molecular Formula: C8H9 N O
• Molecular Weight: 135.166
• Hs Code.: 2924299090
• European Community (EC) Number: 221-398-4
• NSC Number: 62003
• UNII: UM2UR68SAJ
• DSSTox Substance ID: DTXSID90184863
• Nikkaji Number: J149.381G
• Wikidata: Q83055803
• Mol file: 3085-53-8.mol

Synonyms:3-Methylformanilide;3085-53-8;3'-Methylformanilide;n-(3-methylphenyl)formamide;Formamide, N-(3-methylphenyl)-;N-m-tolylformamide;UM2UR68SAJ;EINECS 221-398-4;NSC-62003;m-Formotoluidide;m-Methylformanilide;NSC62003;3-methylphenylformamide;UNII-UM2UR68SAJ;N-Formyl-3-methylaniline;NCIOpen2_003540;N-(3-methylphenyl) formamide;SCHEMBL1172185;DTXSID90184863;MFCD00014123;NSC 62003;AKOS006223870;FT-0634650;6-Hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylicacid

Chemical Property of 3'-Methylformanilide

Chemical Property:

• Vapor Pressure: 0.00156mmHg at 25°C
• Melting Point: <-18 °C
• Refractive Index: 1.5589 (estimate)
• Boiling Point: 295.1°Cat760mmHg
• PKA: 15.00±0.70(Predicted)
• Flash Point: 167.8°C
• PSA: 29.10000
• Density: 1.103g/cm³
• LogP: 2.27220
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

N-(3-Methylphenyl)formamide ^*data from reagent suppliers

Safty Information:

• Statements: 21/22
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC=O

Technology Process of 3'-Methylformanilide

There total 29 articles about 3'-Methylformanilide 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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + 1-amino-3-methylbenzene (108-44-1) → N-formyl-m-toluidine (3085-53-8)

Guidance literature:

With phenylsilane; C₁₄H₂₄N₄Si*HI; In benzene-d6; at 60 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acscatal.0c03795

Reference yield: 94.0%

1-methyl-3-nitrobenzene (99-08-1) + ammonium formate (16712-16-6,64165-14-6,65387-22-6,70179-79-2,540-69-2) → N-formyl-m-toluidine (3085-53-8)

Guidance literature:

With cobalt nanoparticles coated by N,P-codoped carbon shell pyrolyzed at 800°C; In tetrahydrofuran; at 120 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c8cc05285a

Reference yield: 93.0%

N-(m-methylbenzene)-1-imidazolecarboxamide (33876-93-6) → N-formyl-m-toluidine (3085-53-8)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1016/j.tetlet.2017.04.072

upstream raw materials:

formic acid

1-amino-3-methylbenzene

(3-methylphenyl)thiourea

6-methyl-6-phenyl-3-(1-phenylethyl)-5-(m-toluidino)-1,2,4-trioxan

Downstream raw materials:

C₈H₈BrNO

N,N'-di(m-tolyl)formamidine

N-methyl-N-(3-methylphenyl)carboxamide

4-nitro-3-methylaniline

Refernces

• 1、 Kumar, Vishal,Dhawan, Sanjeev,Girase, Pankaj Sanjay,Singh, Parvesh,Karpoormath, Rajshekhar. "An Environmentally Benign, Catalyst-Free N?C Bond Cleavage/Formation of Primary, Secondary, and Tertiary Unactivated Amides". . p. 5627 - 5639. Retrieved 2021/11/11.
• 2、 Li, Dianjun,Wang, Shihaozhi,Yang, Jiale,Yang, Jinhui. "Copper-Catalyzed Cascade N-Dealkylation/N-Methyl Oxidation of Aromatic Amines by Using TEMPO and Oxygen as Oxidants". supporting information. p. 6768 - 6772. Retrieved 2021/12/31.