N,N-bis(2-chloroethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride

Base Information

• Chemical Name: N,N-bis(2-chloroethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
• CAS No.: 81816-63-9
• Molecular Formula: C₁₃H₁₇Cl₂NO*ClH
• Molecular Weight: 310.651
• DSSTox Substance ID: DTXSID50510003
• NSC Number: 297332
• Mol file: 81816-63-9.mol

Synonyms:81816-63-9;NSC 297332;DTXSID50510003;NSC297332;NSC-297332;2H-1-Benzopyran-4-amine,N-bis(2-chloroethyl)- 3,4-dihydro-, hydrochloride;N,N-Bis(2-chloroethyl)-3,4-dihydro-2H-1-benzopyran-4-amine--hydrogen chloride (1/1)

Chemical Property of N,N-bis(2-chloroethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride

Chemical Property:

• Vapor Pressure: 0.000429mmHg at 25°C
• Boiling Point: 315.7°Cat760mmHg
• Flash Point: 144.8°C
• Density: 1.23g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 309.045397
• Heavy Atom Count: 18
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=CC=CC=C2C1N(CCCl)CCCl.Cl

Technology Process of N,N-bis(2-chloroethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride

There total 4 articles about N,N-bis(2-chloroethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride 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:

2,3-dihydro-4H-1-benzopyran-4-one (491-37-2) → Bis-(2-chloro-ethyl)-chroman-4-yl-amine; hydrochloride (81816-63-9)

Guidance literature:

Multi-step reaction with 4 steps

1: hydroxylamine hydrochloride, potassium carbonate / ethanol

2: hydrogene / Raney nickel / ethanol

3: ethanol

4: thionyl chloride / CHCl₃

With thionyl chloride; hydroxylamine hydrochloride; hydrogen; potassium carbonate; nickel; In ethanol; chloroform;

Reference yield:

chroman-4-one oxime (24541-01-3,535935-39-8) → Bis-(2-chloro-ethyl)-chroman-4-yl-amine; hydrochloride (81816-63-9)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogene / Raney nickel / ethanol

2: ethanol

3: thionyl chloride / CHCl₃

With thionyl chloride; hydrogen; nickel; In ethanol; chloroform;

Reference yield:

2-[Chroman-4-yl-(2-hydroxy-ethyl)-amino]-ethanol (81816-61-7) → Bis-(2-chloro-ethyl)-chroman-4-yl-amine; hydrochloride (81816-63-9)

Guidance literature:

With thionyl chloride; In chloroform;

upstream raw materials:

2-[Chroman-4-yl-(2-hydroxy-ethyl)-amino]-ethanol

2,3-dihydro-4H-1-benzopyran-4-one

chroman-4-amine

chroman-4-one oxime

Downstream raw materials:

1-Chroman-4-yl-4-(3-methoxy-phenyl)-piperazine

1-Chroman-4-yl-4-(4-methoxy-phenyl)-piperazine

1-(3,4-dihydro-2H-chromen-4-yl)-4-methylpiperazine

1-Chroman-4-yl-4-phenyl-piperazine