Milfasartan

Base Information

• Chemical Name: Milfasartan
• CAS No.: 148564-47-0
• Molecular Formula: C30H30 N6 O3 S
• Molecular Weight: 554.673
• UNII: 8UAL5421CL
• DSSTox Substance ID: DTXSID70164007
• Nikkaji Number: J644.905K
• Wikidata: Q27271019
• NCI Thesaurus Code: C66152
• ChEMBL ID: CHEMBL429847
• Mol file: 148564-47-0.mol

Synonyms:milfasartan

Chemical Property of Milfasartan

Chemical Property:

• Vapor Pressure: 2.49E-23mmHg at 25°C
• Boiling Point: 765.3°Cat760mmHg
• Flash Point: 416.6°C
• PSA: 143.89000
• Density: 1.32g/cm³
• LogP: 5.22860
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 554.21001001
• Heavy Atom Count: 40
• Complexity: 965

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=C(C(=O)N(C(=N1)C)CC2=C(C=CS2)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

Technology Process of Milfasartan

There total 12 articles about Milfasartan 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: 80.0%

methyl 2-<<4-butyl-2-methyl-6-oxo-5-<<2'-<1-(triphenylmethyl)-1H-tetrazol-5-yl><1,1'-biphenyl>-4-yl>methyl>-1(6H)-pyrimidinyl>methyl>-3-thiophenecarboxylate (148564-34-5) → milfasartan (148564-47-0)

Guidance literature:

With methanol; Heating;

DOI:10.1021/jm00024a008

Reference yield: 37.0%

2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester (172292-52-3) → milfasartan (148564-47-0)

Guidance literature:

With sodium azide; tributyltin chloride; In toluene; for 60h; Heating;

DOI:10.1021/jm00024a008

Reference yield:

2-methylthiophene-3-carboxylic acid (1918-78-1) → milfasartan (148564-47-0)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂SO₄

2: 75 percent / N-bromosuccinimide, α,α'-azoisobutyronitrile / CCl4 / 3 h / 70 °C

3: 1.) NaH, 2.) LiBr

4: 37 percent / NaN₃, tributyltin chloride / toluene / 60 h / Heating

With N-Bromosuccinimide; sodium azide; sulfuric acid; azobisisobutyronitrile; tributyltin chloride; sodium hydride; lithium bromide; In tetrachloromethane; toluene;

DOI:10.1021/jm00024a008

upstream raw materials:

2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester

methyl 2-<<4-butyl-2-methyl-6-oxo-5-<<2'-<1-(triphenylmethyl)-1H-tetrazol-5-yl><1,1'-biphenyl>-4-yl>methyl>-1(6H)-pyrimidinyl>methyl>-3-thiophenecarboxylate

2-methylthiophene-3-carboxylic acid

2-methylthiophene-3-carboxylic acid methyl ester

Refernces