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3-Dimethylamino-2-methylpropyl chloride hydrochloride

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Name

3-Dimethylamino-2-methylpropyl chloride hydrochloride

EINECS 224-237-6
CAS No. 4261-67-0 Density N/A
PSA 3.24000 LogP 2.22490
Solubility N/A Melting Point 169-173 °C
Formula C6H14ClN.ClH Boiling Point 144.5 °C at 760 mmHg
Molecular Weight 172.098 Flash Point 41.2 °C
Transport Information N/A Appearance white to off-white powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4261-67-0 (3-Dimethylamino-2-methylpropyl chloride hydrochloride) Hazard Symbols IrritantXi
Synonyms

1-Propanamine,3-chloro-N,N,2-trimethyl-, hydrochloride (9CI);Propylamine, 3-chloro-N,N,2-trimethyl-,hydrochloride (7CI,8CI);(g-Chloro-b-methylpropyl)dimethylamine-hydrochloride;1-Chloro-2-methyl-3-(N,N-dimethylamino)propane hydrochloride;1-Chloro-3-(dimethylamino)-2-methylpropane hydrochloride;2,N,N-Trimethylaminopropyl chloride hydrochloride;2-Methyl-3-(dimethylamino)propyl chloride hydrochloride;

 

3-Dimethylamino-2-methylpropyl chloride hydrochloride Synthetic route

33622-41-2

2-methyl-3-dimethylaminopropanol

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

Conditions
ConditionsYield
With thionyl chloride In chloroform Reflux; Cooling with ice;
503321-47-9

10H-dipyrido[3,4-b:3',4'-e][1,4]thiazine

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

10-(3'-dimethylamino-2'-methylpropyl)-2,7-diazaphenothiazine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane for 5h; Heating;84%

5H-dipyrido[2,3-b:4',3'-e][1,4]thiazine

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

10-(3'-dimethylamino-2'-methylpropyl)-3,6-diazaphenothiazine

Conditions
ConditionsYield
Stage #1: 5H-dipyrido[2,3-b:4',3'-e][1,4]thiazine With sodium hydroxide In 1,4-dioxane for 2h; Reflux;
Stage #2: 1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride In 1,4-dioxane for 24h; Reflux;
82%
1192303-44-8

6H-9-chloroquino[3,2-b]benzo[1,4]thiazine

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

1443133-98-9

6-(3-dimethylamino-2-methylpropyl)-9-chloroquinobenzothiazine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane for 3h; Reflux;78%
1192303-47-1

9-methylthio-6H-quinobenzothiazine

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

1443133-99-0

6-(3-dimethylamino-2-methylpropyl)-9-methylthioquinobenzothiazine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane for 3h; Reflux;76%
158438-85-8

6H-quino[3,2-b]benzo[1,4]thiazine

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

1443133-97-8

6-(3-dimethylamino-2-methylpropyl)quinobenzothiazine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane for 3h; Reflux;74%
1192303-46-0

6H-9-fluoroquinobenzothiazine

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

C21H22FN3S

Conditions
ConditionsYield
With sodium hydroxide for 3h; Reflux;71%
911371-11-4

6H-diquino[3,2-b;2',3'-e][1,4]thiazine

4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

1027333-79-4

6-(3'-dimethylamino-2'-methylpropyl)diquinothiazine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane for 3h; Heating;62%
4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

1-azido-2-methyl-3-(N,N-dimethylamino)propane

Conditions
ConditionsYield
With sodium azide In water at 80℃; for 15h;45%
With sodium azide In water at 80℃;45%
4261-67-0

1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride

2215-63-6

1-benzyl-3-hydroxy-1H-indazole

[3-(1-benzyl-1H-indazol-3-yloxy)-2-methyl-propyl]-dimethyl-amine

Conditions
ConditionsYield
Stage #1: 1-benzyl-3-hydroxy-1H-indazole With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h;
Stage #2: 1-chloro-2-methyl-3-(dimethylamino)propane hydrochloride With sodium hydride In N,N-dimethyl-formamide at 100℃; for 12h; Further stages.;
45%

3-Dimethylamino-2-methylpropyl chloride hydrochloride Specification

The cas register number of 3-Dimethylamino-2-methylpropyl chloride hydrochloride is 4261-67-0. It also can be called as 3-Chloro-2-methylpropyl(dimethyl)ammonium chloride and the Systematic name about this chemical is [(2R)-3-chloro-2-methylpropyl]-dimethylazanium.

Physical properties about 3-Dimethylamino-2-methylpropyl chloride hydrochloride are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24Å2; (13)Flash Point: 41.2 °C; (14)Enthalpy of Vaporization: 38.16 kJ/mol; (15)Boiling Point: 144.5 °C at 760 mmHg; (16)Vapour Pressure: 5.07 mmHg at 25°C.

Uses of 3-Dimethylamino-2-methylpropyl chloride hydrochloride: It reacts to get (3-azido-2-methyl-propyl)-dimethyl-amine. This reaction needs solvent H2O. The reaction time is 15 hours. The yield is 45 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. People must wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1.SMILES: Cl.ClCC(C)CN(C)C
2.InChI: InChI=1/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H 
3.InChIKey: SOMIBONUMGNAEP-UHFFFAOYAF
4.Std. InChI: InChI=1S/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H

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