N-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)formamide

Base Information

• Chemical Name: N-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)formamide
• CAS No.: 73038-05-8
• Molecular Formula: C14H25 N3
• Molecular Weight: 235.373
• European Community (EC) Number: 667-921-3
• NSC Number: 57900
• DSSTox Substance ID: DTXSID10288857
• Wikidata: Q82025975
• Mol file: 73038-05-8.mol

Synonyms:73038-05-8;N-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)formamide;NSC57900;DTXSID10288857;NSC-57900;AKOS024338037;64194-61-2

Chemical Property of N-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)formamide

Chemical Property:

• Vapor Pressure: 4.91E-05mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 348.8°C at 760 mmHg
• Flash Point: 162.4°C
• PSA: 118.80000
• Density: 0.997g/cm³
• LogP: 0.88340
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 214.05244675
• Heavy Atom Count: 14
• Complexity: 337

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C(=C(N=C1SC)N)NC=O

Technology Process of N-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)formamide

There total 4 articles about N-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)formamide 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: 91.0%

N-(2-Cyanoethyl)-N-(3-cyanopropyl)-benzylamine (1216-04-2) → N-(3-aminobutyl)-N-(3-aminopropyl)(phenylmethyl)amine (73038-05-8)

Guidance literature:

With sodium hydroxide; hydrogen; nickel; In ethanol; under 2068.6 Torr;

DOI:10.1055/s-1984-30973

Reference yield:

3-(benzylamino)propionitrile (706-03-6) → N-(3-aminobutyl)-N-(3-aminopropyl)(phenylmethyl)amine (73038-05-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent

2: 63 percent / LiAlH₄, AlCl₃

With lithium aluminium tetrahydride; aluminium trichloride;

DOI:10.1021/jo00335a041

Reference yield:

benzylamine (100-46-9) → N-(3-aminobutyl)-N-(3-aminopropyl)(phenylmethyl)amine (73038-05-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / hydroquinone / Heating

2: 66 percent

3: 63 percent / LiAlH₄, AlCl₃

With lithium aluminium tetrahydride; aluminium trichloride; hydroquinone;

DOI:10.1021/jo00335a041

upstream raw materials:

N-(2-Cyanoethyl)-N-(3-cyanopropyl)-benzylamine

benzyl bromide

3-(benzylamino)propionitrile

benzylamine

Downstream raw materials:

N⁴-Benzyl-N¹,N⁸-bis<2,3-(methylenedioxy)benzoyl>spermidine hydrochloride

N⁴-benzyl-N¹,N⁸-bis(2,3-diacetoxybenzoyl)spermidine hydrochloride

N⁴-benzyl-N¹,N⁸-bis(benzoyl)spermidine

N⁴-benzyl-N¹,N⁸-bis(2,3-dimethoxybenzoyl)spermidine hydrochloride