2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide

Base Information

• Chemical Name: 2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
• CAS No.: 75463-39-7
• Molecular Formula: C₁₄H₁₆ClNO
• Molecular Weight: 249.74
• DSSTox Substance ID: DTXSID80996912
• Mol file: 75463-39-7.mol

Synonyms:BRN 2736368;2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide;75463-39-7;VUFB 10,098;N-(s-Hydrindacen-1-yl)chloroacetamide;Acetamide, 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-;DTXSID80996912;ACETAMIDE,2-CHLORO-N-(1,2,3,5,6,7-HEXAHYDRO-S-INDACEN-1-YL)-;LS-8557;2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)ethanimidic acid

Chemical Property of 2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide

Chemical Property:

• Vapor Pressure: 9.64E-09mmHg at 25°C
• Boiling Point: 462.7°C at 760 mmHg
• Flash Point: 233.6°C
• PSA: 32.59000
• Density: 1.25g/cm³
• LogP: 3.35790
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.0920418
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

ACETAMIDE, 2-CHLORO-N-(1,2,3,5,6,7-HEXAHYDRO-S-INDACEN-1-YL)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC3=C(C=C2C1)C(CC3)NC(=O)CCl

Technology Process of 2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide

There total 2 articles about 2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide 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:

3,5,6,7-Tetrahydro-2H-s-indacen-1-one oxime (61682-29-9) → 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-acetamide (75463-39-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Na, EtOH / Heating

2: K₂CO₃ / benzene

With ethanol; sodium; potassium carbonate; In benzene;

DOI:10.1135/cccc19762020

Reference yield:

1-Amino-s-hydrindacen (75463-43-3) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-acetamide (75463-39-7)

Guidance literature:

With potassium carbonate; In benzene;

DOI:10.1135/cccc19762020

Reference yield:

Benzyl-isopropyl-amin (102-97-6) + 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-acetamide (75463-39-7) → 2-(Benzyl-isopropyl-amino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-acetamide (75463-50-2)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1135/cccc19762020

upstream raw materials:

1-Amino-s-hydrindacen

chloroacetyl chloride

3,5,6,7-Tetrahydro-2H-s-indacen-1-one oxime

Downstream raw materials:

2-(Benzyl-isopropyl-amino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-acetamide

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