N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide

Base Information

• Chemical Name: N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide
• CAS No.: 510753-82-9
• Molecular Formula: C₅₅H₈₃Cl₆N₇O₆
• Molecular Weight: 1151.03
• Mol file: 510753-82-9.mol

Synonyms:N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide

Chemical Property of N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide

There total 4 articles about N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide 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: 95.0%

{2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-1,1-bis-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-ethyl}-carbamic acid benzyl ester (510753-81-8) → N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide (510753-82-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/S0960-894X(02)00361-X

Reference yield:

tris(cyanoethoxymethyl)aminomethane (132491-89-5) → N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide (510753-82-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 87 percent / aq. NaHCO₃ / dioxane

2: NaBH₄; CoCl₂*6H₂O / methanol / 2 h / 20 °C

3: 0.28 g / 4-methylmorpholine; HBTU / dimethylformamide / 20 °C

4: H₂ / Pd/C / methanol / 0.75 h / 20 °C

With 4-methyl-morpholine; sodium tetrahydroborate; hydrogen; sodium hydrogencarbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; cobalt(II) chloride; palladium on activated charcoal; In 1,4-dioxane; methanol; N,N-dimethyl-formamide;

DOI:10.1016/S0968-0896(03)00057-9

Reference yield:

[2-(3-amino-propoxy)-1,1-bis-(3-amino-propoxymethyl)-ethyl]-carbamic acid benzyl ester (510753-80-7) → N-(3-{2-amino-3-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-propoxy}-propyl)-4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyramide (510753-82-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.28 g / 4-methylmorpholine; HBTU / dimethylformamide / 20 °C

2: H₂ / Pd/C / methanol / 0.75 h / 20 °C

With 4-methyl-morpholine; hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/S0968-0896(03)00057-9

upstream raw materials:

{2-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxy]-1,1-bis-[3-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyrylamino)-propoxymethyl]-ethyl}-carbamic acid benzyl ester

tris(cyanoethoxymethyl)aminomethane

[2-(2-cyanoethoxy)-1,1-bis-(2-cyanoethoxymethyl)ethyl]carbamic acid benzyl ester

[2-(3-amino-propoxy)-1,1-bis-(3-amino-propoxymethyl)-ethyl]-carbamic acid benzyl ester