4-Amino-alpha-diethylamino-o-cresol dihydrochloride

Base Information

• Chemical Name: 4-Amino-alpha-diethylamino-o-cresol dihydrochloride
• CAS No.: 6297-14-9
• Molecular Formula: C11H18 N2 O . 2 Cl H
• Molecular Weight: 267.199
• Hs Code.: 2922299090
• European Community (EC) Number: 228-568-7
• ChEMBL ID: CHEMBL4280224
• Mol file: 6297-14-9.mol

Synonyms:6297-14-9;4-Amino-alpha-diethylamino-o-cresol dihydrochloride;4-Amino-2-[(diethylamino)methyl]phenol dihydrochloride;4-Amino-2-((diethylamino)methyl)phenol dihydrochloride;AChE-IN-23;EINECS 228-568-7;4-amino-2-(diethylaminomethyl)phenol;dihydrochloride;4-Amino-alpha-diethylamino-o-cresol HCl;4-amino-2-diethylaminomethylphenol dihydrochloride;C11H18N2O.2ClH;4-amino-2-(diethylaminomethyl)phenol dihydrochloride;SCHEMBL1998656;CHEMBL4280224;PLISWDVQSUTGTR-UHFFFAOYSA-N;C11-H18-N2-O.2Cl-H;MFCD00012997;NSC 17568;AKOS015902423;HY-W077226;NSC 108348;AS-76838;CS-0119871;FT-0636076;D95604;J-640222;4-Amino- alpha -diethylamino-o-cresol dihydrochloride;4-Amino-2-((diethylamino)methyl)phenoldihydrochloride;3-(diethylamino)methyl-4-hydroxyaniline dihydrochloride;Phenol, 4-amino-2-((diethylamino)methyl)-, dihydrochloride

Chemical Property of 4-Amino-alpha-diethylamino-o-cresol dihydrochloride

Chemical Property:

• Vapor Pressure: 0.000122mmHg at 25°C
• Melting Point: 215-218 °C (dec.)(lit.)
• Boiling Point: 325.3°C at 760 mmHg
• Flash Point: 150.5°C
• PSA: 49.49000
• LogP: 4.00140
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 266.0952687
• Heavy Atom Count: 16
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-2-[(diethylamino)methyl]phenol dihydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)CC1=C(C=CC(=C1)N)O.Cl.Cl

Technology Process of 4-Amino-alpha-diethylamino-o-cresol dihydrochloride

There total 3 articles about 4-Amino-alpha-diethylamino-o-cresol dihydrochloride 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: 90.0%

N-{3-[(diethylamino)methyl]-4-hydroxyphenyl}acetamide (121-78-8) → 4-amino-α-diethylamino-o-cresol dihydrochloride (6297-14-9)

Guidance literature:

With hydrogenchloride; for 4h; Heating;

Reference yield:

4-acetaminophenol (103-90-2,8055-08-1) → 4-amino-α-diethylamino-o-cresol dihydrochloride (6297-14-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / ethanol / 12 h / Heating

2: 90 percent / 20percent HCl / 4 h / Heating

With hydrogenchloride; In ethanol;

Reference yield:

4-amino-phenol (123-30-8) → 4-amino-α-diethylamino-o-cresol dihydrochloride (6297-14-9)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 0.5 h / 60 °C

2: ethanol / 1 h / 80 °C / Microwave irradiation

3: hydrogenchloride / water / 2 h / 100 °C

With hydrogenchloride; In tetrahydrofuran; ethanol; water;

DOI:10.1021/acsinfecdis.8b00279

upstream raw materials:

N-{3-[(diethylamino)methyl]-4-hydroxyphenyl}acetamide

4-acetaminophenol

4-amino-phenol

Downstream raw materials:

3-(3-Diethylaminomethyl-4-hydroxy-phenyl)-2-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

4-(7'-bromo-1',5'-naphthyridin-4'-ylamino)-2-(diethylaminomethyl)phenol

2-diethylaminomethyl-4-(2',7'-dimethyl-1',8'-naphthyridin-4'-ylamino)phenol

4-(7'-chloro-1',8'-naphthyridin-4'-ylamino)-2-diethylaminomethylphenol