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5407-04-5

5407-04-5 Structure

5407-04-5 Structure
IdentificationMore
[Name]

3-Dimethylaminopropylchloride hydrochloride
[CAS]

5407-04-5
[Synonyms]

1-(DIMETHYLAMINO)-2-CHLOROPROPANE HYDROCHLORIDE
1-DIMETHYLAMINO-2-PROPYL CHLORIDE HYDROCHLORIDE
1-DIMETHYL AMINOISOPROPYL CHLORIDE HYDROCHLORIDE
2-CHLORO-1-DIMETHYLAMINOPROPANE HYDROCHLORIDE
2 CHLORO-N,N-DIMETHYLPROPANAMINE HYDROCHLORIDE
2-CHLORO-N,N-DIMETHYLPROPYLAMINE HYDROCHLORIDE
2-CHLOROPROPYLDIMETHYLAMMONIUM CHLORIDE
2-DIMETHYLAMINO ISOPROPYL CHLORIDE HCL
2-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE
2-DMPC
B-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE
BETA-DIMETHYLAMINOISOPROPYL CHLORIDE HCL
BETA-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE
CHLORO(2-)N,N-DIMETHYLPROPYLAMINE HCL
DMIC
N-(2-CHLORO-PROPYL)DIMETHYLAMINE
N-(2-Chloropropyl)dimethylamine hydrochloride
N-(2-CHLOROPROPYL)-N,N-DIMETHYLAMMONIUM CHLORIDE
1-Chloro-3-(N,N-dimethyl)aminopropanehydrochloride
1-Chloro-3-dimethylaminopropane,hydrochloride
[EINECS(EC#)]

224-971-7
[Molecular Formula]

C5H13Cl2N
[MDL Number]

MFCD00012534
[Molecular Weight]

158.07
[MOL File]

5407-04-5.mol
Chemical PropertiesBack Directory
[Appearance]

White to yellowish crystalline powder
[Melting point ]

187-190 °C(lit.)
[Boiling point ]

50 °C(Press: 40 Torr)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

2000g/l
[form ]

Solid
[color ]

White to Off-White
[PH]

5-6 (500g/l, H2O, 20℃)
[Water Solubility ]

soluble
[Sensitive ]

Hygroscopic
[Usage]

3-Chloro-N,N-dimethylpropylamine hydrochloride (DMPC) is used as intermediate for the syntheses of pharmaceuticals (e.g. amitriptyline, bencyclane, benzydamine, cyclobenzaprine and imipramine). Product Data Sheet
[BRN ]

3670046
[InChI]

InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
[InChIKey]

LJQNMDZRCXJETK-UHFFFAOYSA-N
[SMILES]

C(CCCl)N(C)C.Cl
[CAS DataBase Reference]

5407-04-5(CAS DataBase Reference)
[EPA Substance Registry System]

5407-04-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

TY1225000
[F ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29211990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thionyl chloride-->Dimethylamine-->Allyl alcohol-->3-Chloropropylamine hydrochloride-->3-Dimethylamino-1-propanol-->3-Chloro-1-propanol-->Chloroform-->Sulfuryl chloride
[Preparation Products]

N,N,N'-Trimethyl-1,3-propanediamine-->1-[3-(Dimethylamino)propyl]piperazine-->3,3'-(2,7-DibroMo-9H-fluorene-9,9-diyl)bis(N,N-diMethylpropan- 1-aMine)-->(E)-Olopatadine Hydrochloride-->N-[3-(2-Amino-4-chlorophenoxy)propyl]-N,N-dimethylamine-->2-(3-Dimethylamino-propoxy)-benzaldehyde-->[3-(3-Chloro-9-oxa-1,2,10-triaza-anthracen-10-yl)-propyl]-dimethyl-amine-->3-(4-Bromophenoxy)-N,N-dimethylpropylamine
Hazard InformationBack Directory
[Chemical Properties]

White to yellowish crystalline powder
[Uses]

3-(Dimethylamino)propyl chloride hydrochloride (DMPC) is used as intermediate for the syntheses of pharmaceuticals (e.g. amitriptyline, bencyclane, benzydamine, cyclobenzaprine and imipramine). Product Data Sheet
[Uses]

Dimethylaminopropyl chloride, hydrochloride is used mainly as a pharmaceutical intermediate for the synthesis of many types of drugs, as an agricultural chemical intermediate, as a photographic chemical intermediate, and as a biochemical reagent for enzyme and other studies.
[Uses]

Dimethylaminopropyl chloride, hydrochloride is used mainly as a pharmaceutical intermediate for the synthesis of many types of drugs, as an agricultural chemical intermediate, as a photographic chemical intermediate, and as a biochemical reagent for enzyme and other studies. The compound shows mutagenic activity.
[Synthesis]

3-Dimethylamino-1-propanol

3179-63-3

3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE

5407-04-5

Dithionyl chloride (21 g, 1.2 eq.) was added slowly and dropwise to a stirred solution of 3-dimethylamino-1-propanol (15 g, 1.0 eq.) dissolved in 150 mL of chloroform at 0 °C. Subsequently, the reaction mixture was heated to reflux and maintained for 5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by distillation under reduced pressure to obtain the crude product. The crude product was washed with a mixture of dichloromethane and petroleum ether (1:10, 50 mL, v/v) to give N,N-dimethylaminopropyl chloride hydrochloride (22 g, 98% yield).

[References]

[1] Patent: WO2013/97773, 2013, A1. Location in patent: Paragraph 0248
[2] Journal of Polymer Science, Part A: Polymer Chemistry, 2014, vol. 52, # 5, p. 671 - 679
Spectrum DetailBack Directory
[Spectrum Detail]

3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5)MS
3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5)1HNMR
3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5)13CNMR
3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5)IR1
3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5)IR2
3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5)IR3
3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Dimethylaminopropylchloride hydrochloride, 99%(5407-04-5)
[Alfa Aesar]

3-Dimethylaminopropyl chloride hydrochloride, 98%(5407-04-5)
[Sigma Aldrich]

5407-04-5(sigmaaldrich)
[TCI AMERICA]

3-(Dimethylamino)propyl Chloride Hydrochloride,>98.0%(T)(5407-04-5)
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