Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Bromo-4-chlorothieno[3,2-d]pyrimidine |
EINECS | N/A |
CAS No. | 31169-27-4 | Density | 1.955 g/cm3 |
PSA | 54.02000 | LogP | 3.10720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H2BrClN2S | Boiling Point | 345.453 °C at 760 mmHg |
Molecular Weight | 249.518 | Flash Point | 162.724 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
7-BROMO-4-CHLOROTHIENO[3,2-D]PYRIMIDINE |
Article Data | 21 |
7-bromo-4-(methylsulfanyl)thieno[3,2-d]pyrimidine
7-bromo-4-chlorothieno[3,2-d]pyrimidine
Conditions | Yield |
---|---|
With sulfuryl dichloride In dichloromethane; acetonitrile at 0℃; for 0.5h; | 99% |
7-bromothieno[3,2-d]pyrimidine-4(3H)-one
7-bromo-4-chlorothieno[3,2-d]pyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate for 2h; Heating / reflux; | 95% |
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 3h; Reflux; | 85% |
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 3h; Reflux; | 85% |
7-bromo-4-chlorothieno[3,2-d]pyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate at 125℃; for 6h; Temperature; Time; | 89% |
7-bromothieno[3,2-d]pyrimidine-4(3H)-one
7-bromo-4-chlorothieno[3,2-d]pyrimidine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In trichlorophosphate | 82% |
3H-thieno[3,2-d]pyrimidin-4-one
A
7-bromo-4-chlorothieno[3,2-d]pyrimidine
B
7-bromothieno[3,2-d]pyrimidine-4(3H)-one
Conditions | Yield |
---|---|
With bromine; sodium hydrogencarbonate In acetic acid | A n/a B 64% |
4-chlorothieno[3,2-d]pyrimidine
7-bromo-4-chlorothieno[3,2-d]pyrimidine
Conditions | Yield |
---|---|
With N-Bromosuccinimide; acetic acid In acetonitrile at 85℃; for 18h; | 20% |
With N-Bromosuccinimide; acetic acid In acetonitrile at 85℃; for 18h; |
3H-thieno[3,2-d]pyrimidin-4-one
7-bromo-4-chlorothieno[3,2-d]pyrimidine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Br2 2: POCl3 View Scheme | |
Multi-step reaction with 2 steps 1: Br2 2: POCl3, Py View Scheme | |
Multi-step reaction with 2 steps 1: bromine / acetic acid / 10 h / 120 °C / sealed reactor 2: trichlorophosphate / 3 h / 150 °C View Scheme |
Methyl 3-aminothiophene-2-carboxylate
7-bromo-4-chlorothieno[3,2-d]pyrimidine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: acetic anhydride 1.2: 3 h / 20 °C 1.3: 20 h / 20 - 150 °C 2.1: bromine / acetic acid / 18 h / 120 °C 3.1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 3 h / Reflux View Scheme | |
Multi-step reaction with 3 steps 1: 2-methoxy-ethanol / 4 h / 120 °C 2: sodium metaphposphate; N-Bromosuccinimide / acetone / 4 h / 15 °C 3: trichlorophosphate / 6 h / 125 °C View Scheme |
7-bromo-4-chlorothieno[3,2-d]pyrimidine
7-bromothieno[3,2-d]pyrimidine-4-amine
Conditions | Yield |
---|---|
With ammonia In isopropyl alcohol at 95 - 100℃; for 7h; Sealed tube; | 97% |
With ammonia In isopropyl alcohol at 95 - 100℃; for 7h; Sealed tube; | 97% |
With ammonia In isopropyl alcohol at 95 - 100℃; for 7h; Sealed tube; | 97% |
With ammonia In isopropyl alcohol at 100℃; for 12h; sealed vessel; | 83% |
With ammonia In isopropyl alcohol at 100℃; for 12h; | 3.8 g |
7-bromo-4-chlorothieno[3,2-d]pyrimidine
(R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol
Conditions | Yield |
---|---|
Stage #1: (R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 1h; Stage #2: 7-bromo-4-chlorothieno[3,2-d]pyrimidine In N,N-dimethyl-formamide; mineral oil at 20℃; for 12h; | 96% |
The 7-Bromo-4-chlorothieno[3,2-d]pyrimidine, with CAS registry number 31169-27-4, belongs to the following product categories: CHIRAL CHEMICALS. Its systematic name and IUPAC name are the same, which is 7-bromo-4-chlorothieno[3,2-d]pyrimidine.
Physical properties about this chemical are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 220; (6)ACD/BCF (pH 7.4): 220; (7)ACD/KOC (pH 5.5): 1654; (8)ACD/KOC (pH 7.4): 1654; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 51.247 cm3; (15)Molar Volume: 127.612 cm3; (16)Polarizability: 20.316×10-24cm3; (17)Surface Tension: 69.854 dyne/cm; (18)Enthalpy of Vaporization: 56.621 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1c2scc1Br
(2)InChI: InChI=1/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H
(3)InChIKey: LJFZDPZIIKOATA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H
(5)Std. InChIKey: LJFZDPZIIKOATA-UHFFFAOYSA-N