6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib Hydrochloride

Base Information

• Chemical Name: 6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib Hydrochloride
• CAS No.: 183320-04-9
• Molecular Formula: C₂₁H₂₀ClN₃O₃*ClH
• Molecular Weight: 434.322
• Mol file: 183320-04-9.mol

Synonyms:183320-04-9;6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib Hydrochloride;6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine hydrochloride;6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine;hydrochloride;6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amineHCl;SCHEMBL1507669;NQFZBXSVTMDWFQ-UHFFFAOYSA-N;BCP31067;MFCD32201947;F19358;6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-aminehydrochloride;N-(3-ethynylphenyl)-6(2-chloroethoxy)-7-(2-methoxyethoxy)quinazolin-4-amine hydrochloride;[6-(2-Chloro-ethoxy)-7-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine Hydrochloride;6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride

Chemical Property of 6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib Hydrochloride

Chemical Property:

• Melting Point: >213°C (dec.)
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (slightly, Heated)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 433.0959969
• Heavy Atom Count: 29
• Complexity: 514

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-O-Desmethoxyethyl-6-O-chloroethylErlotinibHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCl.Cl
• Uses: 6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib hydrochloride is a derivative of Erlotinib (E625000), an epidermal growth factor receptor inhibitor and tyrosine kinase inhibitor that is used to treat patients with lung cancer.

Technology Process of 6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib Hydrochloride

There total 1 articles about 6-O-Desmethoxyethyl-6-O-chloroethyl Erlotinib 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:

4-chloro-6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline (183322-19-2) + 3-acetylenephenylamine (54060-30-9) → [6-(2-Chloro-ethoxy)-7-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine hydrochloride (183320-04-9)

Guidance literature:

Reference yield:

[6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine hydrochloride (183320-04-9) → (3-Ethynyl-phenyl)-[6-(2-imidazol-1-yl-ethoxy)-7-(2-methoxy-ethoxy)-quinazolin-4-yl]-amine dihydrochloride

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 48 h / 110 °C

2: hydrogenchloride / diethyl ether; chloroform

With hydrogenchloride; In diethyl ether; chloroform; N,N-dimethyl-formamide;

Reference yield:

[6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine hydrochloride (183320-04-9) → (3-Ethynyl-phenyl)-[7-(2-methoxy-ethoxy)-6-(2-morpholin-4-yl-ethoxy)-quinazolin-4-yl]-amine dihydrochloride

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 24 h / 80 °C

2: diethyl ether; chloroform

In diethyl ether; chloroform; N,N-dimethyl-formamide;

upstream raw materials:

4-chloro-6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline

3-acetylenephenylamine