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[ CAS No. 112811-90-2 ] 2-(Benzylthio)nicotinic acid

Cat. No.: A524524

2D 3D

Chemical Structure| 112811-90-2

Chemical Structure| 112811-90-2

Structure of 112811-90-2 * Storage: Keep in dark place,Sealed in dry,Room Temperature

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* Storage: Keep in dark place,Sealed in dry,Room Temperature

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Quality Control of [ 112811-90-2 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 112811-90-2 ]

CAS No. :	112811-90-2	MDL No. :	MFCD00661380
Formula :	C₁₃H₁₁NO₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OJNZDGDYAXCHPB-UHFFFAOYSA-N
M.W :	245.30	Pubchem ID :	757779
Synonyms :

Safety of [ 112811-90-2 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 112811-90-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 112811-90-2 ]

[ 112811-90-2 ] Synthesis Path-Downstream 1~1

1
[ 112811-90-2 ]
[ 112811-91-3 ]
[ 112006-57-2 ]

Yield	Reaction Conditions	Operation in experiment
52.1 parts (93.9%)	With thionyl chloride; dimethyl amine; In water; ethyl acetate;	EXAMPLE 5 N,N-Dimethyl-2-(phenylmethylthio)-3-pyridinecarboxamide A mixture of 29.7 parts of thionylchloride, 50.0 parts of 2-(phenylmethylthio)-3-pyridinecarboxylic acid, and 225 parts of ethyl acetate was refluxed for 1.6 hours. The resulting solution of 2-(phenylmethylthio)-3-pyridinecarbonyl chloride was cooled to 5 C. While maintaining the temperature at approximately 10 C., 70 parts of 40% dimethylamine in water were added. The pH was adjusted to 4.0 with 36% HCl and the lower aqueous layer was decanted. Water was added to the ethyl acetate layer and the resulting mixture was distilled until the ethyl acetate was removed. After cooling and seeding, N,N-dimethyl-2-(phenylmethylthio)-3-pyridinecarboxamide was recovered by filtration, washed with water, and dried. This gave 52.1 parts (93.9%), melting point 61-63 C.

Reference： [1]Patent: US4786734,1988,A

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Technical Information

• Arndt-Eistert Homologation • Hunsdiecker-Borodin Reaction • Hydride Reductions • Nucleophilicity of Sulfur Compounds • Oxidation States of Sulfur Compounds • Passerini Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Ugi Reaction

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[ 112811-90-2 ]

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
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Code	Phrase
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Code	Phrase
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
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P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
P402	Store in a dry place.
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Disposal
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P501	Dispose of contents/container to ...
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Ghs Hazard Statements

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
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H250	Catches fire spontaneously if exposed to air
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H310	Fatal in contact with skin
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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