100191-87-5

Basic information

• Product Name: 4-(Allyloxy)-3,5-dimethylbenzonitrile
• Synonyms: 4-(Allyloxy)-3,5-dimethylbenzonitrile
• CAS NO: 100191-87-5
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.23772
• Mol File: 100191-87-5.mol

Chemical Properties

• Boiling Point: 325.3°Cat760mmHg
• Flash Point: 137.3°C
• Appearance: /
• Density: 1.02g/cm³
• Vapor Pressure: 0.000232mmHg at 25°C
• Refractive Index: 1.524
• CAS DataBase Reference: 4-(Allyloxy)-3,5-dimethylbenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Allyloxy)-3,5-dimethylbenzonitrile(100191-87-5)
• EPA Substance Registry System: 4-(Allyloxy)-3,5-dimethylbenzonitrile(100191-87-5)

Safety Data

• Hazardous Substances Data: 100191-87-5(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-(Allyloxy)-3,5-dimethylbenzonitrile is used as a building block in organic synthesis for the creation of more complex molecules. Its unique structure and reactivity contribute to the development of a variety of chemical compounds.
Used in Chemical Research:
In the field of chemical research, 4-(Allyloxy)-3,5-dimethylbenzonitrile serves as an important intermediate, facilitating the exploration of new chemical reactions and the synthesis of novel compounds.
Used in Pharmaceutical Production:
4-(Allyloxy)-3,5-dimethylbenzonitrile is utilized as a key intermediate in the production of pharmaceuticals. Its versatile chemical properties allow for its incorporation into the development of new drugs and therapeutic agents.
Used in Agrochemical Development:
4-(Allyloxy)-3,5-dimethylbenzonitrile also finds application in the agrochemical industry, where it is used as an intermediate for the synthesis of various agrochemicals, contributing to the development of effective crop protection products.
Used in the Development of New Materials:
Due to its versatile chemical properties, 4-(Allyloxy)-3,5-dimethylbenzonitrile may have potential applications in the development of new materials, expanding its utility beyond traditional chemical synthesis.
Used in Chemical Process Innovation:
4-(Allyloxy)-3,5-dimethylbenzonitrile's unique characteristics position it as a candidate for the innovation of new chemical processes, potentially leading to more efficient and sustainable methods in the chemical industry.

InChI:InChI=1/C12H13NO/c1-4-5-14-12-9(2)6-11(8-13)7-10(12)3/h4,6-7H,1,5H2,2-3H3

Upstream product

• 7192-39-4 4-(allyloxy)-3,5-dimethylbenzoic acid 
• 4919-37-3 3,5-dimethyl-4-hydroxybenzoic acid 
• 576-26-1 2.6-dimethylphenol 
• 4198-90-7 3,5-dimethyl-4-hydroxybenzonitrile 
• 106-95-6 allyl bromide 
• 7192-65-6 4-Allyloxy-3,5-dimethyl-benzoesaeure-amid 

Downstream Products

• 1010113-34-4 4-allyloxy-N-hydroxy-3,5-dimethyl-benzamidine 
• 1282613-01-7 5-(4-(Allyloxy)-3,5-dimethylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine 
• 7192-39-4 4-(allyloxy)-3,5-dimethylbenzoic acid 
• 1220870-13-2 5-[4-(allyloxy)-3,5-dimethylphenyl]-N-butyl-1,3,4-thiadiazol-2-amine 
• 1220870-15-4 N-(5-(4-(allyloxy)-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl)-N-butyl-2-methyl-benzamide 
• 1220870-29-0 N-{5-[4-(allyloxy)-3,5-dimethylphenyl]-1,3,4-thiadiazol-2-yl}-N-butyl-3-chloro-2-fluorobenzamide 
• 1282614-01-0 1-[2-(4-{5-[butyl(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl}-2,6-dimethyl-phenoxy)ethyl]azetidine-3-carboxylic acid 
• 1282614-53-2 1-[2-(4-{5-[butyl(2,4-difluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl}-2,6-dimethyl-phenoxy)ethyl]piperidine-4-carboxylic acid 
• 1282612-99-0 N-(5-(4-(Allyloxy)-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl)-N-butyl-2-fluorobenzamide 
• 1282613-00-6 N-butyl-N-(5-(3,5-dimethyl-4-(2-oxoethoxy)phenyl)-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide 
• 1282613-23-3 N-butyl-N-(5-(3,5-dimethyl-4-(2-oxoethoxy)phenyl)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide 
• 1282613-24-4 N-(5-(4-(allyloxy)phenyl)-1,3,4-thiadiazol-2-yl)-N-butyl-2-chlorobenzamide 
• 1282613-25-5 N-butyl-2-chloro-N-(5-(3,5-dimethyl-4-(2-oxoethoxy)phenyl)-1,3,4-thiadiazol-2-yl)benzamide 
• 1282613-26-6 N-butyl-3-chloro-N-(5-(3,5-dimethyl-4-(2-oxoethoxy)phenyl)-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide 

Relevant articles and documents

NEW 2-AMINOTHIADIAZOLE DERIVATIVES

The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or N-oxide thereof: wherein:. L represents a direct bond or a -S(O)2- group, ? n is an integer having a value from 0 to 2, ? R1 represents a pyridyl group or an imidazo[1,2-α]pyridinyl group, wherein the pyridyl group is substituted with one or more substituents selected from halogen atoms, a hydroxy group, a C1-4 alkyl group and a C1-4 alkoxy group, or ? R1 represents a group of formula: wherein:. Ra and Rb independently represent a hydrogen atom, halogen atom or a linear or branched C1-4, alkyl group,. Rc represents a hydroxy group, a linear or branched C1-4 alkyl group or C1-4 alkoxy group wherein the alkyl and the alkoxy groups independently are optionally substituted with one or more substituents selected from hydroxy group, cyano group and-NR'R" groups and wherein R' represents a hydrogen atom or a linear or branched C1-4 alkyl group, R" represents a hydrogen atom or a linear or branched C1-4 alkyl group optionally substituted with a hydroxycarbonyl group; or R' and R" together with the nitrogen atom to which they are attached form a 4 to 6 membered, saturated heterocyclic ring optionally substituted with a hydroxycarbonyl group.. R2 represents a pyridyl group, a C3-6 cycloalkyl group or a phenyl group which is optionally substituted with one or more substituents selected from halogen atoms, cyano group, and C1-4 alkoxy group; and. R3 represents a C3-6 cycloalkyl group, a C3-6 cycloalkyl-C1-2 alkyl group or a linear or branched C2-4 alkyl group optionally substituted with one or more substituents selected from halogen atoms and C1-2 alkoxy group.

New thiadiazole derivatives

The present invention relates to thiadiazole derivatives of formula (I), to processes for their preparation and to pharmaceutical compositions containing them. These compounds are potent agonists of S1P1 receptors and thus, they are useful in the treatment, prevention or suppression of diseases and disorders known to be susceptible to improvement by sphingosine-1-phosphate receptors agonists (S1P1), such as autoimmune diseases, chronic immune and inflammatory diseases, transplant rejection, malignant neoplastic diseases, angiogenic-related disorders, pain, neurological diseases, viral and infectious diseases.

NEW THIADIAZOLE DERIVATIVES

The present invention relates to thiadiazole derivatives of formula (I), to processes for their preparation and to pharmaceutical compositions containing them. These compounds are potent agonists of S1P1 receptors and thus, they are useful In the treatment, prevention or suppression of diseases and disorders known to be susceptible to improvement by sphingosine-1-phosphate receptors agonists (S1P1), such as autoimmune diseases, chronic immune and inflammatory diseases, transplant rejection, malignant neoplastic diseases, angiogenic-related disorders, pain, neurological diseases, viral and infectious diseases.

New 2-aminothiadiazole derivatives

The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or N-oxide thereof: wherein: ? L represents a direct bond or a -S(O)2- group, ? n is an integer having a value from 0 to 2, ? R1 represents a pyridyl group or an imidazo[1,2-a]pyridinyl group, wherein the pyridyl group is substituted with one or more substituents selected from halogen atoms, a hydroxy group, a C1-4 alkyl group and a C1-4 alkoxy group, or ? R1 represents a group of formula: wherein: o Ra and Rb independently represent a hydrogen atom, halogen atom or a linear or branched C1-4 alkyl group, o Rc represents a hydroxy group, a linear or branched C1-4 alkyl group or C1-4 alkoxy group wherein the alkyl and the alkoxy groups independently are optionally substituted with one or more substituents selected from hydroxy group, cyano group and-NR'R" groups and wherein ■ R' represents a hydrogen atom or a linear or branched C1-4 alkyl group, ■ R" represents a hydrogen atom or a linear or branched C1-4 alkyl group optionally substituted with a hydroxycarbonyl group; or ■ R' and R" together with the nitrogen atom to which they are attached form a 4 to 6 membered, saturated heterocyclic ring optionally substituted with a hydroxycarbonyl group. ? R2 represents a pyridyl group, a C3-6 cycloalkyl group or a phenyl group which is optionally substituted with one or more substituents selected from halogen atoms, cyano group, and C1-4 alkoxy group; and ? R3 represents a C3-6 cycloalkyl group, a C3-6 cycloalkyl-C1-2 alkyl group or a linear or branched C2-4 alkyl group optionally substituted with one or more substituents selected from halogen atoms and C1-2 alkoxy group.

Thiophene derivatives as S1P1/EDGE1 receptor agonists

The invention relates to novel thiophene derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

Pyridin-4-yl derivatives as immunomodulating agents

The invention relates to pyridine derivatives of Formula (I) wherein A, R1, R2, R3, R4, R5, and R6 are as described in the description, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS

The invention relates to novel amino-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

Pyridin-3-yl derivatives as immunomodulating agents

The invention relates to pyridin-3-yl derivatives of Formula (I) wherein R1, R2, R3, R4, R5; R6 and A are as described in the description, their preparation and their use as pharmaceuticall

NEW 2-AMIDOTHIADIAZOLE DERIVATIVES

New 2-amidothiadiazole derivatives having the chemical structure of formula (I) or pharmaceutically acceptable salts or N-oxides thereof as agonists of S1P1 receptors.

NOVEL THIOPHENE DERIVATIVES

The invention relates to novel thiophene derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.