3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester acetate

Base Information

• Chemical Name: 3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester acetate
• CAS No.: 170749-59-4
• Molecular Formula: C₂H₄O₂*C₁₉H₂₁N₃O₂
• Molecular Weight: 383.447
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10670031
• Mol file: 170749-59-4.mol

Synonyms:170749-59-4;3-AMINO-3-IMINOPROPANOIC ACID 1-(DIPHENYLMETHYL)-3-AZETIDINYL ESTER ACETATE;1-BENZHYDRYLAZETIDIN-3-YL 3-AMINO-3-IMINOPROPANOATE ACETATE;1-(diphenylmethyl)azetidin-3-yl 2-carbamimidoylacetate acetate;1-Benzidlilazetidin-3-yl-3-amino-3-iminopropanoate Monoacetate;acetic acid;(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate;MFCD09032928;116574-10-8;SCHEMBL3326188;DTXSID10670031;1-Benzidlilazetidin-3-yl-3-amino-3-iminopropanoateMonoacetate;BCP23238;AKOS015918376;AC-4736;SB11037;AS-33900;SY003252;AM20030138;CS-0054000;FT-0654535;A811233;Q-103484;amidinoacetic acid (1-benzhydryl-3-azetidinyl) ester acetate;1-(diphenylmethyl)azetidin-3-yl 2-carbamimidoylacetate;Acetic acid--1-(diphenylmethyl)azetidin-3-yl 3-amino-3-iminopropanoate (1/1)

Chemical Property of 3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester acetate

Chemical Property:

• PSA: 116.71000
• LogP: 3.15830
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 383.18450629
• Heavy Atom Count: 28
• Complexity: 449

Purity/Quality:

1-Benzhydrylazetidin-3-yl3-amino-3-iminopropanoateacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)O.C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CC(=N)N

Technology Process of 3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester acetate

There total 2 articles about 3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester acetate 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: 93.5%

ammonium acetate (631-61-8,92206-38-7) + 1-benzhydrylazetidin-3-yl cyanoacetate (116574-14-2) → 1-benzhydrylazetidin-3-yl 3-amino-3-iminopropanoate acetate (170749-59-4)

Guidance literature:

1-benzhydrylazetidin-3-yl cyanoacetate; With hydrogenchloride; ammonium hydroxide; In ethanol; dichloromethane; at -8 - 0 ℃; for 25h; pH=7.8 - 8.5;

ammonium acetate; at 55 - 60 ℃; for 2h; Temperature;

Reference yield:

ammonium acetate (631-61-8,92206-38-7) + Ethoxycarbonimidoyl-acetic acid 1-benzhydryl-azetidin-3-yl ester → 1-benzhydrylazetidin-3-yl 3-amino-3-iminopropanoate acetate (170749-59-4)

Guidance literature:

In acetonitrile; at 55 ℃; for 1h; Yield given;

DOI:10.1248/cpb.43.797

Reference yield:

isopropyl (Z)-2-(4-nitrobenzylidene)-3-oxobutanoate + 1-benzhydrylazetidin-3-yl 3-amino-3-iminopropanoate acetate (170749-59-4) → 3-(1-benzhydrylazetidin-3-yl) 5-isopropyl 2-amino-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Guidance literature:

With sodium methylate; In isopropyl alcohol; at 70 ℃; for 2h; Inert atmosphere;

DOI:10.14233/ajchem.2014.16167

upstream raw materials:

ammonium acetate

1-benzhydrylazetidin-3-yl cyanoacetate

Refernces

• 1、 Kobayashi,Inoue,Nishino,Fujihara,Oizumi,Kimura. "Novel 2-amino-1,4-dihydropyridine calcium antagonists. II. Synthesis and antihypertensive effects of 2-amino-1,4-dihydropyridine derivatives having N,N-dialkylaminoalkoxycarbonyl groups at 3- and/or 5-positions". . p. 797 - 817. Retrieved 2007/10/02.