1-Chloro-N,N-dimethyl-2-propylamine supplier

Name
1-Chloro-N,N-dimethyl-2-propylamine
EINECS
CAS No. 53309-35-6
Article Data3
CAS DataBase
Density 0.934 g/cm³
Solubility
Melting Point
Formula C₅H₁₂ClN
Boiling Point 81.1 °C at 760 mmHg
Molecular Weight 121.61
Flash Point 2.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-propanamine, 1-chloro-N,N-dimethyl-;
PSA 3.24000
LogP 1.17530

Synthetic route

: 2-(Z)-phenylmethylene-cycloheptane-1-one-(E)-oxime

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 87-69-4
tartaric acid

: 92884-27-0
2-[(E)-phenylmethylene]-1-[(E)-(2'-dimethylamino-2'-methyl-1-ethoxyimino)]-cycloheptane

Conditions

Conditions	Yield
In water; toluene	68.2%

...Expand

: 62266-82-4
6-bromo-1,3-benzothiazol-2(3H)-one

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 6-bromo-3-(2-dimethylaminopropyl)benzo[d]thiazol-2(3H)one

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80℃;	38%

: 120-72-9
indole

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 17380-14-2
1-(1H-indol-1-yl)-N,N-dimethylpropan-2-amine

Conditions

Conditions	Yield
With diethyl ether; phenyllithium

: 13948-37-3
2-benzylthiazole

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: dimethyl-(1-methyl-3-phenyl-3-thiazol-2-yl-propyl)-amine

Conditions

Conditions	Yield
With sodium

: 5381-25-9
benzo[b]thiophene-3-carboxylic acid

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 107521-96-0
benzo[b]thiophene-2-carboxylic acid-(2-dimethylamino-propyl ester)

Conditions

Conditions	Yield
With isopropyl alcohol

: 261-31-4
thioxanthene

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: dimethyl-(1-methyl-2-thioxanthen-9-yl-ethyl)-amine

Conditions

Conditions	Yield
With phenyl sodium; benzene

: 32570-18-6
1-(2-hydroxyphenyl)-2,5-dimethylpyrrole

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 1-[2-(2-dimethylamino-propoxy)-phenyl]-2,5-dimethyl-pyrrole

Conditions

Conditions	Yield
With sodium hydroxide

: 17617-05-9
pyridin-3-yl-methanethiol

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 102206-62-2
3-[(2-dimethylamino-propylmercapto)-methyl]-pyridine

Conditions

Conditions	Yield
With ethanol; sodium ethanolate

: 451-40-1
phenyl benzyl ketone

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 857483-91-1
4-dimethylamino-1,2-diphenyl-pentan-1-one

Conditions

Conditions	Yield
With sodium amide; benzene

: 56-23-5
tetrachloromethane

: 86-29-3
Diphenylacetonitrile

: 865-47-4
potassium tert-butylate

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

A: 125-79-1
(R,S)-2,2-diphenyl-4-dimethylaminopentanenitrile

B: 6293-01-2
2,2-diphenyl-3-methyl-4-(dimethylamino)-butyronitrile

...Expand

: 26878-12-6
ethyl fluorene-9-carboxylate

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 9-(2-dimethylamino-propyl)-fluorene-9-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium ethanolate

: 5433-78-3
diphenylmethyl p-tolyl sulfone

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: dimethyl-[1-methyl-3,3-diphenyl-3-(toluene-4-sulfonyl)-propyl]-amine

Conditions

Conditions	Yield
With sodium amide; toluene

: 6336-52-3
1,1-diphenylbutan-2-one

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 76-99-3
Methadone

Conditions

Conditions	Yield
With sodium amide; benzene

: 25195-40-8
(methylsulfonyl)diphenylmethane

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: (3-methanesulfonyl-1-methyl-3,3-diphenyl-propyl)-dimethyl-amine

Conditions

Conditions	Yield
With sodium amide; toluene

: 72250-70-5
benzhydryl-propyl sulfone

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: dimethyl-[1-methyl-3,3-diphenyl-3-(propane-1-sulfonyl)-propyl]-amine

Conditions

Conditions	Yield
With sodium amide; toluene als Lg-Hydrogentartrat isoliert;

: 51488-25-6
2-ethyl-N-phenylaniline

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: (2-ethyl-phenyl)-(2-dimethylamino-propyl)-phenyl-amine

Conditions

Conditions	Yield
With sodium amide; toluene; benzene

: 6537-00-4
hydroxy-norborn-5-en-2-yl-phenyl-acetic acid

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: hydroxy-norborn-5-en-2-yl-phenyl-acetic acid-(2-dimethylamino-propyl ester)

: 40825-17-0
Natrium-Verbindung des [2]Pyridylamins

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 1,N1,N1-trimethyl-N2-[2]pyridyl-ethanediyldiamine

Conditions

Conditions	Yield
With toluene

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 122-39-4
diphenylamine

: 1,N1,N1-trimethyl-N2,N2-diphenyl-ethanediyldiamine

Conditions

Conditions	Yield
With sodium hydroxide; toluene

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 76-93-7
Benzilic acid

: 94914-83-7
benzilic acid-(2-dimethylamino-propyl ester)

Conditions

Conditions	Yield
With sodium methylate

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 62-53-3
aniline

: 55-70-9
1,N1,N1-trimethyl-N2-phenyl-ethanediyldiamine

Conditions

Conditions	Yield
With potassium carbonate; toluene

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 74-88-4
methyl iodide

: (β-chloro-isopropyl)-trimethyl-ammonium; iodide

Conditions

Conditions	Yield
With diethyl ether

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 108-14-5
2-chloro-1-dimethylaminopropane

Conditions

Conditions	Yield
beim Erhitzen;
under 100 Torr; durch Destillation;
under 100 Torr; durch Destillation;
beim Erhitzen;

: 13169-77-2
(1H-pyrrol-2-yl)(thiophen-2-yl)methanone

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 4871-53-8
[1-(2-dimethylamino-propyl)-pyrrol-2-yl]-thiophen-2-yl-methanone

Conditions

Conditions	Yield
(i) KOtBu, (ii) /BRN= 505990/; Multistep reaction;

: 92-84-2
10H-phenothiazine

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 60-87-7
10-[2-(dimethylamino)propyl]phenothiazine

Conditions

Conditions	Yield
(i) NaNH2, toluene, (ii) /BRN= 505990/; Multistep reaction;

: 261-96-1
1-azaphenothiazine

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 482-15-5
isothipendyl

Conditions

Conditions	Yield
With sodium amide In benzene Heating;

: 261-96-1
1-azaphenothiazine

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 55919-51-2
(2-benzo[b]pyrido[2,3-e][1,4]thiazin-10-yl-propyl)-dimethyl-amine

Conditions

Conditions	Yield
With sodium amide In benzene Heating;

: 248-66-8
10H-benzofuro[3,2-b]indole

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: (2-benzo[4,5]furo[3,2-b]indol-10-yl-1-methyl-ethyl)-dimethyl-amine

Conditions

Conditions	Yield
(i) NaNH2, (ii) /BRN= 505990/; Multistep reaction;

: 38533-19-6
3,4-dihydro-2-phenyl-2H-1,4-benzothiazin-3-one

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 95277-50-2
4-(2-dimethylamino-propyl)-2-phenyl-4H-benzo[1,4]thiazin-3-one

Conditions

Conditions	Yield
(i) NaOEt, EtOH, (ii) /BRN= 505990/; Multistep reaction;

: 33199-92-7
11-trifluoromethyl-1,2-dihydro-7H-benzo[2,3][1,4]oxazepino[6,5,4-ij]quinolin-3-one oxime

: 53309-35-6
(2-chloro-1-methyl-ethyl)-dimethyl-amine

: 53309-36-7
11-trifluoromethyl-1,2-dihydro-7H-benzo[2,3][1,4]oxazepino[6,5,4-ij]quinolin-3-one O-(2-dimethylamino-propyl)-oxime

Conditions

Conditions	Yield
(i) NaH, mineral oil, toluene, (ii) /BRN= 505990/; Multistep reaction;

1-Chloro-N,N-dimethyl-2-propylamine Specification

The 1-Chloro-N,N-dimethyl-2-propylamine, with the CAS registry number 53309-35-6, is also known as 2-Propanamine, 1-chloro-N,N-dimethyl-. This chemical's molecular formula is C₅H₁₂ClN and molecular weight is 121.60848. What's more, its systematic name is 1-Chloro-N,N-dimethylpropan-2-amine.

Physical properties about 1-Chloro-N,N-dimethyl-2-propylamine: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.9; (4)ACD/LogD (pH 7.4): -0.28; (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): 5.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 33.74 cm³; (15)Molar Volume: 130 cm³; (16)Surface Tension: 25.5 dyne/cm ; (17)Density: 0.934 g/cm³; (18)Flash Point: 2.9 °C; (19)Enthalpy of Vaporization: 32.18 kJ/mol; (20)Boiling Point: 81.1 °C at 760 mmHg; (21)Vapour Pressure: 83 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(N(C)C)C
(2) InChI: InChI=1/C5H12ClN/c1-5(4-6)7(2)3/h5H,4H2,1-3H3
(3) InChIKey: ZMLUHYJUTIZTOJ-UHFFFAOYAP

Product Name

1-Chloro-N,N-dimethyl-2-propylamine

Synthetic route

1-Chloro-N,N-dimethyl-2-propylamine Specification

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