N-(4,6-dichloropyrimidin-5-yl)formamide

Base Information

• Chemical Name: N-(4,6-dichloropyrimidin-5-yl)formamide
• CAS No.: 123240-66-4
• Molecular Formula: C5H3 Cl2 N3 O
• Molecular Weight: 192.004
• Hs Code.: 2933599090
• European Community (EC) Number: 866-452-3
• DSSTox Substance ID: DTXSID30448774
• Wikidata: Q82267922
• Mol file: 123240-66-4.mol

Synonyms:N-(4,6-dichloropyrimidin-5-yl)formamide;123240-66-4;Formamide, N-(4,6-dichloro-5-pyrimidinyl)-;N-(4,6-DICHLORO-PYRIMIDIN-5-YL)-FORMAMIDE;MFCD04974511;4,6-Dichloro-5-formamidopyrimidine;SCHEMBL8856017;DTXSID30448774;INAVTYBULIFSLK-UHFFFAOYSA-N;YEA24066;AKOS000280657;SB57539;BS-49159;N-(4,6-Dichloro-5-pyrimidinyl)formamide;SY108036;FT-0683035;EN300-333172

Chemical Property of N-(4,6-dichloropyrimidin-5-yl)formamide

Chemical Property:

• PSA: 54.88000
• LogP: 2.06060
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.9653171
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

N-(4,6-Dichloropyrimidin-5-yl)formamide >96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(C(=N1)Cl)NC=O)Cl

Technology Process of N-(4,6-dichloropyrimidin-5-yl)formamide

There total 1 articles about N-(4,6-dichloropyrimidin-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: 100.0%

formic acid (64-18-6) + 5-amino-4,6-dichloropyridimine (5413-85-4) → 4,6-dichloro-5-formamidopyrimidine (123240-66-4)

Guidance literature:

With acetic anhydride; at 20 ℃; for 2h;

DOI:10.1021/jm00163a031

Reference yield: 92.0%

4,6-dichloro-5-formamidopyrimidine (123240-66-4) + (1S,3S,4R,5S)-3-Benzyloxy-4-benzyloxymethyl-1-aminobicyclo<3.1.0>hexane (170453-02-8) → N-[4-((1S,3S,4R,5S)-3-Benzyloxy-4-benzyloxymethyl-bicyclo[3.1.0]hex-1-ylamino)-6-chloro-pyrimidin-5-yl]-formamide (190195-83-6)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 24h; Heating;

DOI:10.1039/a604352f

Reference yield: 90.2%

4,6-dichloro-5-formamidopyrimidine (123240-66-4) + 2,2-bis(benzyloxymethyl)cyclopropylamine (135345-86-7) → 6-<<2,2-bis(benzyloxymethyl)cyclopropyl>amino>-4-chloro-5-formamidopyrimidine (135345-87-8)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 16h; Heating;

DOI:10.1039/P19920002519

upstream raw materials:

formic acid

5-amino-4,6-dichloropyridimine

Downstream raw materials:

N-(4-Benzyloxyamino-6-chloro-pyrimidin-5-yl)-formamide

6-<<3-(benzyloxy)propoxy>amino>-4-chloro-5-formamidopyrimidine

6-<<2,2-bis(benzyloxymethyl)cyclopropyl>amino>-4-chloro-5-formamidopyrimidine

N-[4-((1S,3S,4R,5S)-3-Benzyloxy-4-benzyloxymethyl-bicyclo[3.1.0]hex-1-ylamino)-6-chloro-pyrimidin-5-yl]-formamide