Methotrexate-gamma-monoamide

Base Information

Chemical Name:Methotrexate-gamma-monoamide
CAS No.:64801-56-5
Molecular Formula:C20H23 N9 O4
Molecular Weight:453.45
Hs Code.:
Wikidata:Q76009753

Synonyms:methotrexate-gamma-monoamide;N-(N' (2,4-diamino-6-pteridinyl)methyl-N'-methyl-4-aminobenzoyl)-L-glutamine

Suppliers and Price of Methotrexate-gamma-monoamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Methotrexate-gamma-monoamide

Chemical Property:

Density:1.502g/cm³
XLogP3:-2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:453.18730025
Heavy Atom Count:33
Complexity:703

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)N)C(=O)O
Isomeric SMILES:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)O

Technology Process of Methotrexate-gamma-monoamide

There total 6 articles about Methotrexate-gamma-monoamide 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:

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: (S)-4-Carbamoyl-2-(4-methylamino-benzoylamino)-butyric acid

: 64801-56-5
(S)-4-Carbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid

Guidance literature:: With triethylamine; In N,N-dimethyl acetamide; at 25 ℃; for 120h; Yield given;
DOI:10.1021/jm00344a018

Reference yield:

: 10541-83-0,937737-33-2
N-methyl-p-aminobenzoic acid

: 64801-56-5
(S)-4-Carbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid

Guidance literature:: Multi-step reaction with 5 steps

1: 86 percent / 2 N NaOH / dioxane; H₂O / 0.5 h / 0 - 5 °C

2: 99 percent / SOCl₂ / benzene / 2 h / Heating

3: 2.) (i-Pr)2NEt / 1.) CH₂Cl₂, 25 deg C, 2.) CH₂Cl₂, 25 deg C, 64 h

4: HBr

5: Et₃N / N,N-dimethyl-acetamide / 120 h / 25 °C

With sodium hydroxide; thionyl chloride; hydrogen bromide; triethylamine; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; N,N-dimethyl acetamide; water; benzene;
DOI:10.1021/jm00344a018

Reference yield:

: 2528-30-5
4-<<(benzyloxy)carbonyl>methylamino>benzoic acid

: 64801-56-5
(S)-4-Carbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid

Guidance literature:: Multi-step reaction with 4 steps

1: 99 percent / SOCl₂ / benzene / 2 h / Heating

2: 2.) (i-Pr)2NEt / 1.) CH₂Cl₂, 25 deg C, 2.) CH₂Cl₂, 25 deg C, 64 h

3: HBr

4: Et₃N / N,N-dimethyl-acetamide / 120 h / 25 °C

With thionyl chloride; hydrogen bromide; triethylamine; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; benzene;
DOI:10.1021/jm00344a018