[4-[[[2-(5-Aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate

Base Information

• Chemical Name: [4-[[[2-(5-Aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate
• CAS No.: 6491-60-7
• Molecular Formula: C₇H₁₄N₂O₃
• Molecular Weight: 174.2
• DSSTox Substance ID: DTXSID10983491
• Mol file: 6491-60-7.mol

Synonyms:6491-60-7;DTXSID10983491;N-({4-[(2-Chloro-4,5-difluorobenzoyl)oxy]-3-methoxyphenyl}methylidene)-2-(5-imino-2,5-dihydro-1H-tetrazol-1-yl)ethanehydrazonic acid

Chemical Property of [4-[[[2-(5-Aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 465.0763860
• Heavy Atom Count: 32
• Complexity: 694

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=NNC(=O)CN2C(=NN=N2)N)OC(=O)C3=CC(=C(C=C3Cl)F)F

Technology Process of [4-[[[2-(5-Aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate

There total 47 articles about [4-[[[2-(5-Aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate 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: 93.0%

Boc-D-Val-Gly-OEt (3479-71-8) → H-Val-Gly-OH (71698-68-5,6491-60-7) + (R)-3-(1-methylethyl)-piperazine-2,5-one (143673-66-9)

Guidance literature:

With water; In N,N-dimethyl-formamide; at 150 ℃; for 2.5h; enantioselective reaction; Microwave irradiation;

DOI:10.1016/j.bioorg.2010.05.002

Reference yield: 86.0%

sodium glycinate (6000-44-8) + (S)-N-carbamoyl-valine (26081-02-7) → valylglycine (686-43-1,6491-60-7)

Guidance literature:

(S)-N-carbamoyl-valine; With NO_x; oxygen; In water; at 20 ℃; under 760.051 Torr;

sodium glycinate; With sodium carbonate; In sodium hydroxide; acetonitrile; at -10 ℃; for 2h; Further stages.;

DOI:10.1002/1099-0690(200203)2002:6<1026::AID-EJOC1026>3.0.CO;2-C

Reference yield: 69.0%

tetrabutylphosphonium glycinate + L-valine methylester hydrochloride (6306-52-1) → valylglycine (686-43-1,6491-60-7)

Guidance literature:

tetrabutylphosphonium glycinate; L-valine methylester hydrochloride; at 60 ℃; for 6h; Inert atmosphere;

With acetic acid; In chloroform; at 20 ℃; for 3h;

DOI:10.1002/chem.201501783

upstream raw materials:

N-(α-bromo-isovaleryl)-glycine

N-(N-benzyloxycarbonyl-DL-valyl)-glycine

4-isopropyl-3-(2-nitro-phenylsulfanyl)-oxazolidine-2,5-dione

glycine

Downstream raw materials:

3-isopropyl-piperazine-2,5-dione

DL-5-isopropyl-3-<4-<(2S)-Fmocamino-2-methoxycarbonylethyl>phenyl>-2-thiohydantoin

alanyl=>valyl=>glycine