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Name |
2-Chloro-4-Amino-6,7-Dimethoxyquinazoline |
EINECS | 245-821-7 |
CAS No. | 23680-84-4 | Density | 1.391 g/cm3 |
PSA | 70.26000 | LogP | 2.46380 |
Solubility | 1.418g/L at 25℃ | Melting Point |
262-268 °C (dec.)(lit.) |
Formula | C10H10ClN3O2 | Boiling Point | 374 °C at 760 mmHg |
Molecular Weight | 239.661 | Flash Point | 180 °C |
Transport Information | N/A | Appearance | off-white solid |
Safety | 26-36-37/39 | Risk Codes | 36/37/38-20/21/22 |
Molecular Structure | Hazard Symbols | Xi,Xn | |
Synonyms |
4-Amino-2-chloro-6,7-dimethoxyquinazoline;2-Chloro-6,7-dimethoxyquinazolin-4-amine; |
Article Data | 11 |
The IUPAC name of 2-Chloro-4-Amino-6,7-Dimethoxyquinazoline is 2-chloro-6,7-dimethoxyquinazolin-4-amine. With the CAS registry number 23680-84-4, it is also named as 4-Quinazolinamine, 2-chloro-6,7-dimethoxy-. The product's categories are quinolines, quinazolines and derivatives, building blocks, doxazosin, (intermediate of doxazosin), heterocyclic compounds, bases & related reagents, heterocycles, nucleotides, alfuzosin hydrochloride and doxazosin mesylate. It is off-white solid.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 8.64; (6)ACD/BCF (pH 7.4): 8.67; (7)ACD/KOC (pH 5.5): 162.71; (8)ACD/KOC (pH 7.4): 163.36; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 62.76 cm3; (14)Molar Volume: 172.2 cm3; (15)Polarizability: 24.88×10-24 cm3; (16)Surface Tension: 57.5 dyne/cm; (17)Enthalpy of Vaporization: 62.13 kJ/mol; (18)Vapour Pressure: 8.63E-06 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 3; (21)Exact Mass: 239.046154; (22)MonoIsotopic Mass: 239.046154; (23)Topological Polar Surface Area: 70.3; (24)Heavy Atom Count: 16.
Uses of 2-Chloro-4-Amino-6,7-Dimethoxyquinazoline: It is used as pharmaceutical intermediates for the synthesis of prazosin, doxazosin, terazosin and other drugs. It is also used in many organic synthesis. For example: 1. It reacts with 3-methyl-piperazine-1-carboxylic acid ethyl ester to get 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-3-methyl-piperazine-1-carboxylic acid ethyl ester. This reaction needs solvent 3-methyl-butan-1-ol by heating. The reaction time is 72 hours. The yield is 42%.
2. It also can react with thiosemicarbazide to obtain 6,7-dimethoxy-2-thiosemicarbazido-4-aminoquinazoline hydrochloride. This reaction needs solvent dimethylformamide at temperature of 100 °C. The reaction time is 4 hours. The yield is 52%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: Clc2nc1c(cc(OC)c(OC)c1)c(n2)N;
2. InChI: InChI=1/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14).