1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate

Base Information

Chemical Name:1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate
CAS No.:146464-94-0
Molecular Formula:C₂₇H₃₁N₇O₅
Molecular Weight:533.587
Hs Code.:
European Community (EC) Number:695-811-5
DSSTox Substance ID:DTXSID201123734

Synonyms:146464-94-0;SCHEMBL15075306;DTXSID201123734;1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate;10-Propargyl-10-deazaminopterin Diethyl Ester

Suppliers and Price of 1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:14
Exact Mass:533.23866711
Heavy Atom Count:39
Complexity:872

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)C(CC#C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
Isomeric SMILES:CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C(CC#C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Technology Process of 1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate

There total 6 articles about 1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate 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: 85.0%

: 1445586-44-6
potassium 10-propargyl-4-deoxy-4-amino-10-deazapteroate

: 1118-89-4
diethyl-L-glutamate hydrochloride

: 146464-94-0
10-propargyl-10-deazaaminopterin diethyl ester

Guidance literature:: With 1-methyl-pyrrolidin-2-one; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

Reference yield:

: 146464-92-8
4-(2-carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

: 146464-94-0
10-propargyl-10-deazaaminopterin diethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: dimethylsulfoxide / 0.08 h / 120 °C

2: Et₃N / dimethylformamide / 1 h / Ambient temperature

3: Et₃N / dimethylformamide / 2 h / Ambient temperature

With triethylamine; In dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/jm00067a020

Reference yield:

: 146464-91-7
methyl-4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate

: 146464-94-0
10-propargyl-10-deazaaminopterin diethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 10percent aq. NaOH / 2-methoxy-ethanol; H₂O / 4 h / Ambient temperature

2: dimethylsulfoxide / 0.08 h / 120 °C

3: Et₃N / dimethylformamide / 1 h / Ambient temperature

4: Et₃N / dimethylformamide / 2 h / Ambient temperature

With sodium hydroxide; triethylamine; In 2-methoxy-ethanol; water; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/jm00067a020