CAS No.97004-04-1,5-(Aminomethyl)-2-chloropyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	97004-04-1
Name:	5-(Aminomethyl)-2-chloropyridine
Article Data:	15

Formula:	C₆H₇ClN₂
Molecular Weight:	142.588
Synonyms:	((2-Chloropyridin-5-yl)methyl)amine;((6-Chloropyridin-3-yl)methyl)amine;(2-Chloro-5-pyridyl)methylamine;(6-Chloro-3-pyridyl)methylamine;(6-Chloropyridin-3-yl)methanamine;1-(6-Chloropyridin-3-yl)methanamine;2-Chloro-5-(aminomethyl)pyridine;3-Aminomethyl-6-chloropyridine;5-(Aminomethyl)-2-chloropyridine;6-Chloro-3-(aminomethyl)pyridine;6-Chloro-3-pyridinemethanamine;
EINECS:	-0
Density:	1.244 g/cm³
Melting Point:	28-34 °C
Boiling Point:	254.2 °C at 760 mmHg
Flash Point:	107.6 °C
Appearance:	white to off-white crystal
Hazard Symbols:	T, C
Risk Codes:	25-37/38-41-43-34
Safety:	26-36/37/39-45-20
Transport Information:	UN 2811 6.1/PG 3
PSA:	38.91000
LogP:	1.89400

Synthetic route

: 1080018-12-7
1,3,5-tris[(2-chloropyridin-5-yl)methyl]-1,3,5-perhydrotriazine

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
Stage #1: 1,3,5-tris[(2-chloropyridin-5-yl)methyl]-1,3,5-trihydrotriazine With hydrogenchloride; water In methanol at 75 - 80℃; for 6h; Stage #2: With sodium hydroxide In methanol; chloroform; water	95%
Stage #1: 1,3,5-tris[(2-chloropyridin-5-yl)methyl]-1,3,5-trihydrotriazine With hydrogenchloride In methanol at 75 - 80℃; for 6h; Stage #2: With sodium hydroxide In methanol; chloroform; water Product distribution / selectivity;	95%

: 3731-52-0
3-Aminomethylpyridine

: 75-44-5
phosgene

: sodium tungstate

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide; trimethylamine In hydrogenchloride; chloroform; water	87%

...Expand

: 33252-28-7
6-chloronicotinonitrile

A: 3731-52-0
3-Aminomethylpyridine

B: 23100-12-1
6-chloronicotinylaldehyde

C: bis(6-chloro-3-pyridylmethyl)amine

D: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 760 Torr; for 5h; Reduction;	A 3% B 5% C 8% D 75%
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 912 - 1064 Torr; for 9h; Product distribution; Further Variations:; Catalysts; Pressures; Temperatures; Reduction;	A 2% B 1% C 2% D 73%
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 912 - 1064 Torr; Reduction;	A 2% B 2% C 2% D 73%
With hydrogen; Raney Nickel R-100 In methanol; ammonium hydroxide at 25℃; under 760 Torr; for 9h; Product distribution; Further Variations:; Catalysts; Pressures; Solvents; Temperatures; Hydrogenation;	A 11% B 3% C 17% D 59%

...Expand

: 33252-28-7
6-chloronicotinonitrile

A: 3731-52-0
3-Aminomethylpyridine

B: bis(6-chloro-3-pyridylmethyl)amine

C: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 760 Torr; for 1.5h; Reduction;	A 17% B 3% C 62%

...Expand

: 70258-18-3
2-chloro-5-(chloromethyl)pyridine

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
With ammonium hydroxide; sodium hydroxide In acetonitrile
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 20 °C 2: hydrazine hydrate / ethanol / Reflux View Scheme
Stage #1: 2-chloro-5-(chloromethyl)pyridine With hexamethylenetetramine In acetonitrile for 6.16667h; Reflux; Stage #2: With hydrogenchloride In methanol; water at 60 - 100℃; for 4h; Temperature;
With sodium hydroxide In ethanol; acetonitrile

: 120739-60-8
((2-chloro-5-pyridinyl)methyl)isoindol-1,3-dione

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 5h; Reflux;
With hydrazine hydrate In ethanol Reflux;	9.5 g

: 33252-28-7
6-chloronicotinonitrile

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
With potassium borohydride In ethanol at 25 - 40℃; for 2.25h;
With ammonia; hydrogen In methanol at 20℃; for 12h;

: 136918-14-4
phthalimide

: 70258-18-3
2-chloro-5-(chloromethyl)pyridine

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃;

: 24424-99-5
di-tert-butyl dicarbonate

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

: 285119-72-4
(6-chloropyridin-3-ylmethyl)carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	100%
With sodium hydroxide In dichloromethane at 20℃; for 16h;	99%
With triethylamine In dichloromethane at 0 - 20℃; for 1h;	98%

: 407-25-0
trifluoroacetic anhydride

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

: 169506-55-2
C8H6ClF3N2O

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 1h;	100%

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Specification

The IUPAC name of 5-(Aminomethyl)-2-chloropyridine is (6-chloropyridin-3-yl)methanamine. With the CAS registry number 97004-04-1, it is also named as 6-Chloro-3-pyridinemethanamine. The product's categories are Pyridine; Aminomethyl's; Pyridines; C6 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. Besides, it is white to off-white crystal, which should be stored in closed containers in a cool, dry warehouse away from oxidizing agents and acids. In addition, its molecular formula is C₆H₇ClN₂ and molecular weight is 142.59.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -0.26; (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): 9.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 37.69 cm³; (14)Molar Volume: 114.5 cm³; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.244 g/cm³; (17)Flash Point: 107.6 °C; (18)Melting point: 28-34 °C; (19)Enthalpy of Vaporization: 49.16 kJ/mol; (20)Boiling Point: 254.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0175 mmHg at 25 °C.

Preparation of 5-(Aminomethyl)-2-chloropyridine: this chemical can be produced by the reaction of 5-Aminomethyl-2-chloropyridine and Hexamethylenetetramine. This reaction needs Acetonitrile and Methanol.

Uses of 5-(Aminomethyl)-2-chloropyridine: this chemical is an intermediate of acetaniprid. Furthermore, it can react with S-Methyl-isothionitrourea to get N-(6-Chloropyridin-3-ylmethyl)-N'-nitroguanidine.

This reaction needs Ethanol at temperature of 80 °C for 3 hours. The yield is 84 %.

When you are using this chemical, please be cautious about it as the following: it is toxic if swallowed. When using, please do not eat or drink. It also may cause burns. Moreover, it is irritating to respiratory system and skin. And it is risk of serious damage to the eyes that may cause sensitization by skin contact. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Additionally, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ncc(cc1)CN
(2)InChI: InChI=1/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
(3)InChIKey: XPARFBOWIYMLMY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
(5)Std. InChIKey: XPARFBOWIYMLMY-UHFFFAOYSA-N