(R)-Benzyl (1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate

Base Information

• Chemical Name: (R)-Benzyl (1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate
• CAS No.: 173897-93-3
• Molecular Formula: C24H22N4O3
• Molecular Weight: 414.464
• DSSTox Substance ID: DTXSID90477727
• Wikidata: Q72505678
• Mol file: 173897-93-3.mol

Synonyms:173897-93-3;(R)-Benzyl (1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate;benzyl N-[(1R)-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate;Carbamic acid, [1-[4-[(1H-pyrrolo[2,3-b]pyridin-4-ylamino)carbonyl]phenyl]ethyl]-, phenylmethyl ester, (R)- (9CI);XQVVZDMIKBFLOZ-MRXNPFEDSA-N;SCHEMBL2855659;DTXSID90477727;CS-M0042;YGA89793;AKOS016005370;(R)-benzyl(1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate;(R)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(1-benzyloxycarbonylaminoethyl)benzamide;CS-14155

Chemical Property of (R)-Benzyl (1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate

Chemical Property:

• Boiling Point: 727.5±60.0 °C(Predicted)
• PKA: 11.11±0.20(Predicted)
• PSA: 96.11000
• Density: 1.28
• LogP: 5.26650
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 414.16919058
• Heavy Atom Count: 31
• Complexity: 602

Purity/Quality:

99.3% ^*data from raw suppliers

(R)-Benzyl (1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)NC(=O)OCC4=CC=CC=C4
• Isomeric SMILES: C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)NC(=O)OCC4=CC=CC=C4

Technology Process of (R)-Benzyl (1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate

There total 3 articles about (R)-Benzyl (1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)carbamoyl)phenyl)ethyl)carbamate 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:

(R)-4-(1-benzyloxycarbonylaminoethyl)benzoic acid chloride (173897-73-9) + 4-amino-1H-pyrrolo<2,3-b>pyridine (74420-00-1) → (R)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(1-benzyloxycarbonylaminoethyl)benzamide (173897-93-3)

Guidance literature:

(R)-4-(1-benzyloxycarbonylaminoethyl)benzoic acid chloride; 4-amino-1H-pyrrolo<2,3-b>pyridine; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 1h;

With sodium methylate; In methanol; at 20 ℃; for 0.5h;

Reference yield:

(R)-(+)-4-(1-benzyloxycarbonylaminoethyl)-benzoic acid (173898-15-2) → (R)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(1-benzyloxycarbonylaminoethyl)benzamide (173897-93-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C

2.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 8 h / 20 °C

2.2: 0.5 h / 20 °C

With thionyl chloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

→ (R)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(1-benzyloxycarbonylaminoethyl)benzamide (173897-93-3)

Guidance literature:

upstream raw materials:

(R)-4-(1-benzyloxycarbonylaminoethyl)benzoic acid chloride

4-amino-1H-pyrrolo<2,3-b>pyridine

(R)-(+)-4-(1-benzyloxycarbonylaminoethyl)-benzoic acid

Downstream raw materials:

(R)-(+)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(1-aminoethyl)benzamide dihydrochloride

Y-39983

(R)-(+)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(1-aminoethyl)benzamide

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