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Cas Database

199536-01-1

199536-01-1

Identification

  • Product Name:Benzoic acid, 3-amino-5-cyano-, methyl ester

  • CAS Number: 199536-01-1

  • EINECS:

  • Molecular Weight:176.175

  • Molecular Formula: C9H8N2O2

  • HS Code:2926909090

  • Mol File:199536-01-1.mol

Synonyms:methyl 3-azanyl-5-cyano-benzoate;methyl 3-amine-5-cyanobenzoate;3-amino-5-cyano-benzoic acid methyl ester;

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Safety information and MSDS view more

  • Signal Word:Warning

  • Hazard Statement:H302 Harmful if swallowedH312 Harmful in contact with skin H332 Harmful if inhaled

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
  • Delivery
  • Purchase
  • Manufacture/Brand:TRC
  • Product Description:Methyl3-amino-5-cyanobenzoate
  • Packaging:100mg
  • Price:$ 90
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:Methyl3-amino-5-cyanobenzoate
  • Packaging:50mg
  • Price:$ 45
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:Methyl 3-amino-5-cyanobenzoate 98.0%
  • Packaging:250 mg
  • Price:$ 50
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:Methyl 3-amino-5-cyanobenzoate 98.0%
  • Packaging:1 g
  • Price:$ 226
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:Methyl 3-amino-5-cyanobenzoate 98.0%
  • Packaging:5 g
  • Price:$ 900
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  • Manufacture/Brand:Labseeker
  • Product Description:Methyl3-amino-5-cyanobenzoate 95
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  • Price:$ 466
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  • Manufacture/Brand:Crysdot
  • Product Description:Methyl3-amino-5-cyanobenzoate 95+%
  • Packaging:25g
  • Price:$ 277
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  • Manufacture/Brand:Crysdot
  • Product Description:Methyl3-amino-5-cyanobenzoate 95+%
  • Packaging:100g
  • Price:$ 842
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  • Manufacture/Brand:CHESS?
  • Product Description:3-Amino-5-cyano-benzoicacidmethylester >98
  • Packaging:5 g
  • Price:$ 48740
  • Delivery:In stock
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  • Manufacture/Brand:CHESS?
  • Product Description:3-Amino-5-cyano-benzoicacidmethylester >98
  • Packaging:1 g
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Relevant articles and documentsAll total 6 Articles be found

Evaluation of the Synthetic Potential of an AHBA Knockout Mutant of the Rifamycin Producer Amycolatopsis mediterranei

Bu?yszko, Ilona,Dr?ger, Gerald,Klenge, Anja,Kirschning, Andreas

supporting information, p. 19231 - 19242 (2016/01/26)

Supplementing an AHBA(-) mutant strain of Amycolatopsis mediterranei, the rifamycin producer, with a series of benzoic acid derivatives yielded new tetraketides containing different phenyl groups. These mutasynthetic studies revealed unique reductive properties of A. mediterranei towards nitro- and azidoarenes, leading to the corresponding anilines. In selected cases, the yields of mutaproducts (fermentation products isolated after feeding bacteria with chemically prepared analogs of natural building blocks) obtained are in a range (up to 118 mg L-1) that renders them useful as chiral building blocks for further synthetic endeavors. The configuration of the stereogenic centers at C6 and C7 was determined to be 6R,7S for one representative tetraketide. Importantly, processing beyond the tetraketide stage is not always blocked when the formation of the bicyclic naphthalene precursor cannot occur. This was proven by formation of a bromo undecaketide, an observation that has implications regarding the evolutionary development of rifamycin biosynthesis.

CYTOKINE INHIBITORS

-

, (2011/11/30)

Provided is a compound of Formula (I): and/or at least one pharmaceutically acceptable salt thereof. Also provided are a method of inhibiting the activity of at least one protein chosen from TNFα, IL-1β, NF-κB, IL-10 and iNOS, a method of decreasing a lev

CYTOKINE INHIBITORS

-

Page/Page column 29, (2009/05/28)

A compound of Formula I: Each variable is defined in the specification. This invention relates to a method of decreasing a level of a cytokine (e.g., TNFα or interlukine such as IL-1β) in a subject with a compound of Formula I. It also relates to a method

Improving implant materials by coating with nonpeptidic, highly specific integrin ligands

Dahmen, Claudia,Auernheimer, Joerg,Meyer, Axel,Enderle, Anja,Goodman, Simon L.,Kessler, Horst

, p. 6649 - 6652 (2007/10/03)

Giving cells some stick: Osteoblast adhesion to titanium, a common material for implants, is stimulated by coating with an optimized and highly specific nonpeptidic ligand for the αvβ3 integrin (see picture). This new technology is advantageous to conventional coating by peptides or proteins in many practical aspects (selectivity and activity, stability against enzymatic degradation, sterilization, costs).

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

-

, (2008/06/13)

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

Process route upstream and downstream products

Process route

methyl 3-cyano-5-nitrobenzoate
99066-80-5

methyl 3-cyano-5-nitrobenzoate

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; methanol; at 20 ℃; for 4h;
95%
With tin(II) chloride dihdyrate; acetic acid; In ethyl acetate; for 1.5h; Reflux;
87%
With hydrogen; palladium on activated charcoal; In methanol;
With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; methanol; at 20 ℃; for 3h;
5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester
1955-46-0

5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: SO2(NH2)2; SOCl2 / tetrahydrothiophene 1,1-dioxide / 42 h / Heating
2: H2 / Pd/C / methanol
With thionyl chloride; hydrogen; SULFAMIDE; palladium on activated charcoal; In sulfolane; methanol;
tin(II)chloride dihydrate

tin(II)chloride dihydrate

methyl 3-cyano-2-nitrobenzoate

methyl 3-cyano-2-nitrobenzoate

3-cyano-5-dimethylaminobenzoic acid
453565-73-6

3-cyano-5-dimethylaminobenzoic acid

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
With sodium hydroxide; sodium hydrogencarbonate; In methanol;
2.4 g (47%)
methyl 3-[(N-hydroxylimino)methyl]-5-nitrobenzoate
183430-96-8

methyl 3-[(N-hydroxylimino)methyl]-5-nitrobenzoate

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 64 percent / H2 / PtO2 / methanol / 0.5 h / 1551.4 Torr
2: 11 percent / Et3N, HgCl2 / dimethylformamide / 1.) 5 deg C, 0.5 h, 2.) RT, 18 h
With hydrogen; triethylamine; mercury dichloride; platinum(IV) oxide; In methanol; N,N-dimethyl-formamide;
tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate
145013-05-4

tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate

methyl 3-amino-5-[(N-hydroxylimino)methyl]benzoate
183430-98-0

methyl 3-amino-5-[(N-hydroxylimino)methyl]benzoate

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

methyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)-5-[(N-hydroxyimino)methyl]benzoate
183431-00-7

methyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)-5-[(N-hydroxyimino)methyl]benzoate

Conditions
Conditions Yield
With triethylamine; mercury dichloride; In N,N-dimethyl-formamide; 1.) 5 deg C, 0.5 h, 2.) RT, 18 h;
30%
11%
5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester
1955-46-0

5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1.1: thionyl chloride / N,N-dimethyl-formamide / 2 h / Reflux
1.2: 0.08 h
2.1: trichlorophosphate / 1,2-dichloro-ethane / 3 h / Reflux
3.1: hydrogen / palladium 10% on activated carbon / tetrahydrofuran; methanol / 3 h / 20 °C
With thionyl chloride; hydrogen; trichlorophosphate; palladium 10% on activated carbon; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; 1,2-dichloro-ethane;
5-nitroisophthalamic acid methyl ester
50826-00-1

5-nitroisophthalamic acid methyl ester

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: trichlorophosphate / 1,2-dichloro-ethane / 3 h / Reflux
2: hydrogen / palladium 10% on activated carbon / tetrahydrofuran; methanol / 3 h / 20 °C
With hydrogen; trichlorophosphate; palladium 10% on activated carbon; In tetrahydrofuran; methanol; 1,2-dichloro-ethane;
methyl 3-cyano-5-nitrobenzoate
99066-80-5

methyl 3-cyano-5-nitrobenzoate

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; methanol; at 20 ℃; for 4h;
95%
With tin(II) chloride dihdyrate; acetic acid; In ethyl acetate; for 1.5h; Reflux;
87%
With hydrogen; palladium on activated charcoal; In methanol;
With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; methanol; at 20 ℃; for 3h;
5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester
1955-46-0

5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: SO2(NH2)2; SOCl2 / tetrahydrothiophene 1,1-dioxide / 42 h / Heating
2: H2 / Pd/C / methanol
With thionyl chloride; hydrogen; SULFAMIDE; palladium on activated charcoal; In sulfolane; methanol;
tin(II)chloride dihydrate

tin(II)chloride dihydrate

methyl 3-cyano-2-nitrobenzoate

methyl 3-cyano-2-nitrobenzoate

3-cyano-5-dimethylaminobenzoic acid
453565-73-6

3-cyano-5-dimethylaminobenzoic acid

methyl 3-amino-5-cyanobenzoate
199536-01-1

methyl 3-amino-5-cyanobenzoate

Conditions
Conditions Yield
With sodium hydroxide; sodium hydrogencarbonate; In methanol;
2.4 g (47%)

Global suppliers and manufacturers

Global( 13) Suppliers
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  • Amadis Chemical Co., Ltd.
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  • Antimex Chemical Limied
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  • Chemlyte Solutions
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  • Emails:sales@chemlytesolutions.com
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  • Debye Scientific
  • Business Type:Trading Company
  • Contact Tel:00852-21376140
  • Emails:sales@debyesci.com
  • Main Products:13
  • Country:China (Mainland)
  • Career Henan Chemical Co
  • Business Type:Lab/Research institutions
  • Contact Tel:+86-371-86658258
  • Emails:purchase@coreychem.com
  • Main Products:1
  • Country:China (Mainland)
  • Xinyanhe Pharmatech Co.,Ltd
  • Business Type:Lab/Research institutions
  • Contact Tel:+86-519-8525-2752
  • Emails:taihuaren@vip.163.com
  • Main Products:1
  • Country:China (Mainland)
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