N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride

Base Information

Chemical Name:N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride
CAS No.:117499-12-4
Molecular Formula:C₁₈H₂₁N₃O₈S*2ClH
Molecular Weight:512.368
Hs Code.:

Synonyms:N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride

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Chemical Property of N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride

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Technology Process of N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride

There total 7 articles about N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride 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: 55.0%

: 463-71-8
thiophosgene

: 117499-10-2
N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-aminophenyl)alanine

: 117499-12-4
N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride

Guidance literature:: With hydrogenchloride; In tetrachloromethane; for 6h; Ambient temperature;
DOI:10.1021/jm00121a042

Reference yield:

: 711015-30-4
2-methyl-4-[(E)-(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one

: 117499-12-4
N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride

Guidance literature:: Multi-step reaction with 6 steps

1: 85 percent / H₂O, AcOH / acetic acid / 0.25 h / 100 °C

2: 89 percent / 3 M HCl / 7 h / Heating

3: 23 percent / 1) NaBH₃CN, 2) conc.HCl / 1) MeOH, H₂O , pH = 6.0, r.t., 3 d, 2) 30 min

4: 45 percent / 7 M NaOH / H₂O / 24 h / 45 °C / pH = 10

5: H₂ / 10percent Pd/C / H₂O; formic acid / 2 h / 1810.02 Torr / Ambient temperature

6: 55 percent / 3 M HCl / CCl₄ / 6 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; water; hydrogen; sodium cyanoborohydride; acetic acid; palladium on activated charcoal; In tetrachloromethane; formic acid; water; acetic acid;
DOI:10.1021/jm00121a042

Reference yield:

: 38335-24-9
3-(4-nitrophenyl)-2-oxopropanoic acid

: 117499-12-4
N-(carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-isothiocyanatophenyl)alanine dihydrochloride

Guidance literature:: Multi-step reaction with 4 steps

1: 23 percent / 1) NaBH₃CN, 2) conc.HCl / 1) MeOH, H₂O , pH = 6.0, r.t., 3 d, 2) 30 min

2: 45 percent / 7 M NaOH / H₂O / 24 h / 45 °C / pH = 10

3: H₂ / 10percent Pd/C / H₂O; formic acid / 2 h / 1810.02 Torr / Ambient temperature

4: 55 percent / 3 M HCl / CCl₄ / 6 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; hydrogen; sodium cyanoborohydride; palladium on activated charcoal; In tetrachloromethane; formic acid; water;
DOI:10.1021/jm00121a042