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41906-86-9

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Basic Information
CAS No.: 41906-86-9
Name: NITROCEFIN
Article Data: 3
Molecular Structure:
Molecular Structure of 41906-86-9 (NITROCEFIN)
Formula: C21H16N4O8S2
Molecular Weight: 516.512
Synonyms: Nitrocefin [BAN];5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,3-[(1E)-2-(2,4-dinitrophenyl)- ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-,(6R,7R)-;(6R-(3(E),6alpha,7beta))-3-(2-(2,4-Dinitrophenyl)ethenyl)-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;(7R)-3-((E)-2,4-Dinitrostyryl)-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid;Nitrocefin;
Density: 1.67g/cm3
Melting Point: 103-113° (dec); mp 167-169° (dec) (Lee)
Boiling Point: 872oC at 760 mmHg
Flash Point: 481.2oC
Solubility: DMSO (Slightly), Methanol (Slightly)
Appearance: Orange to Red Solid
PSA: 231.89000
LogP: 4.10510
Related products
Synthetic route

C34H26N4O8S2

41906-86-9

Nitrocefin

Conditions
ConditionsYield
With methoxybenzene; trifluoroacetic acid In dichloromethane at 0℃; for 0.5h;87%
39098-97-0

2-thienylacetic acid chloride

(6R,7R)-7-Amino-3-[(E)-2-(2,4-dinitro-phenyl)-vinyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

41906-86-9

Nitrocefin

Conditions
ConditionsYield
With N,N'-bis(trimethylsilyl)urea; ammonium bromide 1.) CH2Cl2, reflux, 1.5 h, 2.) CH2Cl2, -10 deg C, 1.5 h; Yield given. Multistep reaction;

(6R,7R)-3-[(Z)-2,4-dinitrostyryl]-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid

41906-86-9

Nitrocefin

Conditions
ConditionsYield
In chloroform; dimethyl sulfoxide at 20℃; for 24h;120 mg

p-methoxybenzyl (6R,7R)-3-(2,4-dinitrostyryl)-7-(2-thienylacetamido)-3-cephem-4-carboxylate

A

41906-86-9

Nitrocefin

B

(6R,7R)-3-[(Z)-2,4-dinitrostyryl]-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid

Conditions
ConditionsYield
With methoxybenzene; trifluoroacetic acid In dichloromethane for 0.25h; cooling; Title compound not separated from byproducts;
39098-97-0

2-thienylacetic acid chloride

41906-86-9

Nitrocefin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: 78 percent / potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / 20 °C
2.1: sodium iodide / butan-2-one / 20 °C
3.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
3.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
4.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
View Scheme
Multi-step reaction with 5 steps
1.1: 78 percent / potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / 20 °C
2.1: sodium iodide / butan-2-one / 20 °C
3.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
3.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
4.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
5.1: 120 mg / CHCl3; dimethylsulfoxide / 24 h / 20 °C
View Scheme
101182-25-6

(6R,7R)-4-methoxybenzyl-3-(chloromethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

41906-86-9

Nitrocefin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium iodide / butan-2-one / 20 °C
2.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
2.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
3.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
View Scheme
Multi-step reaction with 4 steps
1.1: sodium iodide / butan-2-one / 20 °C
2.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
2.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
3.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
4.1: 120 mg / CHCl3; dimethylsulfoxide / 24 h / 20 °C
View Scheme

para-methoxybenzyl (6R,7R)-7-amino-3-chloromethyl-3-cephem-4-carboxylate hydrochloride

41906-86-9

Nitrocefin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: 78 percent / potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / 20 °C
2.1: sodium iodide / butan-2-one / 20 °C
3.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
3.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
4.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
View Scheme
Multi-step reaction with 5 steps
1.1: 78 percent / potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / 20 °C
2.1: sodium iodide / butan-2-one / 20 °C
3.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
3.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
4.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
5.1: 120 mg / CHCl3; dimethylsulfoxide / 24 h / 20 °C
View Scheme

p-methoxybenzyl (6R,7R)-3-(2,4-dinitrostyryl)-7-(2-thienylacetamido)-3-cephem-4-carboxylate

41906-86-9

Nitrocefin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
2: 120 mg / CHCl3; dimethylsulfoxide / 24 h / 20 °C
View Scheme

[(6R,7R)-2-(4-Methoxy-benzyloxycarbonyl)-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-3-ylmethyl]-triphenyl-phosphonium; iodide

41906-86-9

Nitrocefin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
1.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
2.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
View Scheme
Multi-step reaction with 3 steps
1.1: potassium trimethylsilanolate / CH2Cl2; acetonitrile / 1 h / -10 °C
1.2: 0.90 g / CH2Cl2; acetonitrile / 5 h / -10 - 20 °C
2.1: trifluoroacetic acid; anisole / CH2Cl2 / 0.25 h / cooling
3.1: 120 mg / CHCl3; dimethylsulfoxide / 24 h / 20 °C
View Scheme
957-68-6

7-Aminocephalosporanic acid

41906-86-9

Nitrocefin

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: water; sodium hydroxide / methanol / -20 - -10 °C
2.1: sodium hydroxide / acetone; water / 0 °C / pH 8
2.2: 0.5 h
3.1: phosphorus tribromide / tetrahydrofuran / -5 °C / Inert atmosphere
4.1: ethyl acetate / 15 h / 20 °C
5.1: sodium carbonate / dichloromethane / 2.5 h / 0 - 20 °C
6.1: methoxybenzene; trifluoroacetic acid / dichloromethane / 0.5 h / 0 °C
View Scheme
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    Tel:+8617316470195

    Address:333 Songze Avenue, Qingpu District, Shanghai

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  • NITROCEFIN

  • Casno:

    41906-86-9

    NITROCEFIN

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    best seller Application:API

    Hebei Muhuang Technology Co., Ltd was established in 2023. Although we are a very young company, our leaders have been working in the chemical industry for 20 years. We believe tha

  •  Hebei Muhuang Technology Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+8618332173750，+8613191862208

    Address:石家庄桥西区仁和嘉园3号楼1单元702

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  • NITROCEFIN

  • Casno:

    41906-86-9

    NITROCEFIN

    Min.Order: 0

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

  •  ZHEJIANG JIUZHOU CHEM CO.,LTD

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86 19334956669

    Address:Waisha Road,Jiaojiang

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  • NITROCEFIN

  • Casno:

    41906-86-9

    NITROCEFIN

    Min.Order: 0

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    Best Seller, High Quality, Competitive Price, Fast Delivery, Quick ResponseAppearance:powder, or liquid Storage:Stored in room temperature, ventilated place Package:Bottle, barrel, cargo, container, etc. Application:Pharmaceuticals, intermediates, AP

  •  LEAP CHEM Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:0571-87317139

    Address:hangzhou

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  • Nitrocefin

  • Casno:

    41906-86-9

    Nitrocefin

    Min.Order: 10 Milligram

    FOB Price:  USD $ 0.0-0.0

    1.Professional synthesis laboratory and production base. 2.Strong synthesis team and service team. 3.Professional data management system. 4.We provide the professional test date and product information ,ex. HNMR ,CNMR,FNMR, HPLC/G

    Founded in 2011, Amadis Chemical Company Limited is an innovative manufacturer of chemical products and technical service providers. Our business includes sales, manufacture, and s

  • Amadis Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-571-89925085

    Address:Watts Cosine.No.166.Xiangmao Road.

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  • Nitrocefin

  • Casno:

    41906-86-9

    Nitrocefin

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Changzhou Extraordinary Pharmatech co., LTD. As a leading chemical manufacturer and supplier in China.DAS authentication is passed.We can provide the popular precursor chemicals, we have our own strong R & D team, have our own laboratories and fa

    Changzhou Extraordinary Pharmatech co., LTD. Is a full technical team and for the development of hardware and software facilities manufacturing enterprises,The company is located i

  • Changzhou Extraordinary Pharmatech co.,LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86 519 82111935

    Address:Chinese Jiangsu Province Changzhou City Jintan District Jincheng Town Miaotou NO4（Pharmaceutical Park）

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  • NITROCEFIN

  • Casno:

    41906-86-9

    NITROCEFIN

    Min.Order: 100 Milligram

    FOB Price:  USD $ 0.0-0.0

    It's our competitive product, and there are more than 200kg of the product in stock now. Appearance:orange powder Storage:sealed packaging Package:according to our clients Application:intermediate Transportation:express air door to door by FEDE

    Hangzhou cyclic chemical Co., Ltd. is a specialized manufacturer of heterocycles, flavors and photoinitiator products. Located in Hangzhou, Cyclichem has a laboratory with advanced

  • Hangzhou Cyclic Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-571-87216831

    Address:No.302 Huafeng Road, Jianggan District, Hangzhou City, Zhejiang Province, China

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  • NITROCEFIN

  • Casno:

    41906-86-9

    NITROCEFIN

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    Aopharm is specialized in APIs, pharmaceutical intermediates & fine chemicals. 1. The best quality, competitive price. 2. The best service before or after shipment. 3. Rich experience in export operation. 4. Rich experience in modes of

    AOPHARM is a comprehensive manufacturer and an international distribution of chemicals throughout the world. Specialized in APIs, advanced intermediates, botanical extract and colo

  • AOPHARM

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:0086-311-66600578

    Address:C-2103 Wonder Mall Business Square, 15 Yuhua West Rd., Shijiazhuang 050000, Hebei, China

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