Cas no 83130-01-2 (Alanycarb)

Alanycarb structure
Alanycarb structure
Product Name:Alanycarb
CAS No:83130-01-2
MF:C17H25N3O4S2
MW:399.528101682663
MDL:MFCD00274585
CID:60542
PubChem ID:329754371
Update Time:2024-10-27

Alanycarb Chemical and Physical Properties

Names and Identifiers

    • Orion
    • Alanycarb
    • 6,10-Dimethyl-7-oxo-4-(phenylmethyl)-8-oxa-5,11-dithia-4,6,9-triazadodec-9-enoic acid ethyl ester
    • ethyl 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate
    • 5-Oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oic acid,3,7-dimethyl-6-oxo-9-(phenylmethyl)-,ethyl ester,(Z)
    • Alanycar
    • ethyl (3Z)-3,7-dimethyl-6-oxo-9-(phenylmethyl)-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate
    • ethyl (Z)-N-benzyl-N-[[methyl(1-methylthioethylideneaminooxycarbonyl)amino]thio]-β-alaninate
    • GMAUQNJOSOMMHI-JXAWBTAJSA
    • 5-Oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oic acid, 3,7-dimethyl-6-oxo-9-(phenylmethyl)-, ethyl ester, (3Z)- (9CI)
    • 5-Oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oic acid, 3,7-dimethyl-6-oxo-9-(phenylmethyl)-, ethyl ester, (Z)- (ZCI)
    • Alanicarb
    • OK 135
    • Orion (insecticide)
    • ETHYL (Z)-N-BENZYL-N-((METHYL(1-METHYLTHIOETHYLIDENEAMINOOXYCARBONYL)AMINO)THIO)-.BETA.-ALANINATE
    • GMAUQNJOSOMMHI-JXAWBTAJSA-
    • SCHEMBL27410
    • Alanycarb 100 microg/mL in Cyclohexane
    • C18414
    • 767O73WB8X
    • DTXSID5058195
    • Alanycarb [ISO]
    • UNII-767O73WB8X
    • CHEBI:38463
    • ethyl (3Z)-9-benzyl-3,7-dimethyl-6-oxo-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate
    • 5-Oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oic acid, 3,7-dimethyl-6-oxo-9-(phenylmethyl)-, ethyl ester, (Z)-
    • Alanycarb, PESTANAL(R), analytical standard
    • ethyl N-benzyl-N-({methyl[({[(1Z)-1-(methylsulfanyl)ethylidene]amino}oxy)carbonyl]amino}sulfanyl)-beta-alaninate
    • 83130-01-2
    • InChI=1/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-
    • ethyl 3-[[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanyl-(phe
    • MDL： MFCD00274585
    • Inchi： 1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-
    • InChI Key： GMAUQNJOSOMMHI-JXAWBTAJSA-N
    • SMILES： N(CCC(=O)OCC)(SN(C)C(=O)O/N=C(/C)\SC)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 399.12900
  • Monoisotopic Mass: 399.129
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 13
  • Complexity: 471
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 122A^2

Experimental Properties

  • Density: 1.18
  • Boiling Point: 506.2 °C at 760 mmHg
  • Flash Point: 259.9 °C
  • Refractive Index: 1.558
  • PSA: 122.04000
  • LogP: 3.76980

Alanycarb Security Information

  • Symbol: GHS06 GHS09
  • Signal Word：Danger
  • Hazard Statement： H302-H330-H400
  • Warning Statement： P260-P273-P284-P310
  • Hazardous Material transportation number：UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all
  • WGK Germany：3
  • Hazard Category Code： 22-26-50
  • Safety Instruction： 28-36/37-45-61
  • RTECS：RO0965000
  • Hazardous Material Identification： T+ N
  • Storage Condition：2-8°C

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Alanycarb Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethanol ;  rt; 24 h, rt
2.1 Reagents: Sodium hydroxide Solvents: 1,2-Dichloroethane ,  Water ;  rt
2.2 Reagents: Sulfur monochloride ;  0 °C; 2 - 3 h, 0 - 10 °C
3.1 Reagents: Sulfuryl chloride ;  rt → 0 °C; 0 °C; 2 - 3 h, 0 - 10 °C
3.2 Reagents: Triethylamine Solvents: 1,2-Dichloroethane ;  3 h, 10 - 20 °C
3.3 Reagents: Sodium hydroxide Solvents: Water ;  0.5 h, rt
Reference
Synthesis and insecticidal effect of novel carbamate insecticide alanycarb
Huang, Shuo; et al, Jingxi Huagong Zhongjianti, 2006, 36(2), 36-37

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuryl chloride ;  rt → 0 °C; 0 °C; 2 - 3 h, 0 - 10 °C
1.2 Reagents: Triethylamine Solvents: 1,2-Dichloroethane ;  3 h, 10 - 20 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ;  0.5 h, rt
Reference
Synthesis and insecticidal effect of novel carbamate insecticide alanycarb
Huang, Shuo; et al, Jingxi Huagong Zhongjianti, 2006, 36(2), 36-37

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: 1,2-Dichloroethane ,  Water ;  rt
1.2 Reagents: Sulfur monochloride ;  0 °C; 2 - 3 h, 0 - 10 °C
2.1 Reagents: Sulfuryl chloride ;  rt → 0 °C; 0 °C; 2 - 3 h, 0 - 10 °C
2.2 Reagents: Triethylamine Solvents: 1,2-Dichloroethane ;  3 h, 10 - 20 °C
2.3 Reagents: Sodium hydroxide Solvents: Water ;  0.5 h, rt
Reference
Synthesis and insecticidal effect of novel carbamate insecticide alanycarb
Huang, Shuo; et al, Jingxi Huagong Zhongjianti, 2006, 36(2), 36-37

Alanycarb Raw materials

Alanycarb Preparation Products

Alanycarb Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:83130-01-2)ALANYCARB
Order Number:sfd8062
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

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Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:83130-01-2)ALANYCARB
sfd8062
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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