6-Chloro-chroman-4-ylamine

Base Information

• Chemical Name: 6-Chloro-chroman-4-ylamine
• CAS No.: 765880-61-3
• Molecular Formula: C9H10ClNO
• Molecular Weight: 183.637
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40585684
• Mol file: 765880-61-3.mol

Synonyms:6-CHLORO-CHROMAN-4-YLAMINE;765880-61-3;6-CHLOROCHROMAN-4-AMINE;6-CHLORO-3,4-DIHYDRO-2H-CHROMEN-4-AMINE;6-CHLORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE;6-Chlorochroman-4-ylamine;SCHEMBL1265783;DTXSID40585684;DLMNYSHJWHCTOD-UHFFFAOYSA-N;MFCD07371530;AKOS002674542;AKOS016042415;AB29108;AB29112;AB32585;AS-58859;CS-0005275;I11430;EN300-1238119

Chemical Property of 6-Chloro-chroman-4-ylamine

Chemical Property:

• Vapor Pressure: 0.00748mmHg at 25°C
• Boiling Point: 268.9°C at 760 mmHg
• Flash Point: 116.4°C
• PSA: 35.25000
• Density: 1.25g/cm³
• LogP: 2.82260
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98% ^*data from raw suppliers

6-Chloro-chroman-4-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C1N)C=C(C=C2)Cl

Technology Process of 6-Chloro-chroman-4-ylamine

There total 7 articles about 6-Chloro-chroman-4-ylamine 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: 74.0%

4-acetamido-6-chlorochroman → 4-amino-6-chlorochroman (765880-61-3)

Guidance literature:

4-acetamido-6-chlorochroman; With hydrogenchloride; water; In ethanol; for 72h; Reflux;

With sodium hydroxide; In ethanol; water;

DOI:10.1016/j.ejmech.2012.06.050

Reference yield:

6-Chloro-chroman-4-one oxime → 4-amino-6-chlorochroman (765880-61-3)

Guidance literature:

With hydrogen; In ethanol; at 25 ℃;

DOI:10.1016/j.bmcl.2009.09.080

Reference yield:

6-chloro-chroman-4-one (37674-72-9) → 4-amino-6-chlorochroman (765880-61-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium tetrahydroborate / methanol / 1 h / 0 - 20 °C

2: sulfuric acid / -10 - 0 °C

3: hydrogenchloride; water / ethanol / 72 h / Reflux

With hydrogenchloride; sodium tetrahydroborate; sulfuric acid; water; In methanol; ethanol;

DOI:10.1016/j.ejmech.2012.06.050

upstream raw materials:

6-chloro-chroman-4-one

6-chloro-chroman-4-ol

3-(4-chlorophenoxy)propionic acid

4-chloro-phenol

Downstream raw materials:

N-[6-chlorochroman-4-yl]-N'-(3-nitrophenyl)thiourea

N-[6-chlorochroman-4-yl]-N'-(4-nitrophenyl)thiourea

Refernces

• 1、 Cole, Andrew G.,Bohnstedt, Adolph C.,Paradkar, Vidyadhar,Kingsbury, Celia,Quintero, Jorge G.,Park, Haengsoon,Lu, Yingchun,You, Ming,Neagu, Irina,Diller, David J.,Letourneau, Jeffrey J.,Shao, Yuefei,James, Ray A.,Riviello, Christopher M.,Ho, Koc-Kan,Lin, Tsung H.,Wang, Bojing,Appell, Kenneth C.,Sills, Matthew,Quadros, Elizabeth,Kimble, Earl F.,Ohlmeyer, Michael H.J.,Webb, Maria L.. "2-Benzimidazolyl-9-(chroman-4-yl)-purinone derivatives as JAK3 inhibitors". scheme or table. p. 6788 - 6792. Retrieved 2010/06/12.
• 2、 -. "7-Substituted Purine Derivatives for Immunosuppression". Page/Page column 31. . Retrieved 2008/12/05.