Cas no 95266-40-3 (Trinexapac-ethyl)

Trinexapac-ethyl structure
Trinexapac-ethyl structure
Product Name:Trinexapac-ethyl
CAS No:95266-40-3
MF:C13H16O5
MW:252.263144493103
MDL:MFCD01632318
CID:61774
PubChem ID:329755714
Update Time:2024-12-09

Trinexapac-ethyl Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate
    • METRO
    • CIMETOCARB-ETHYL
    • CIMECTOCARB-ETHYL
    • SONIS
    • MODDUS
    • PRIMO
    • 4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxo-cyclohexanecarboxylic acid ethyl ester
    • Ethyl 4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate
    • 3.3'-Dimethylglutaricanhydride
    • Ethyl 4-[cyclopropyl(hydroxy)methylene]-3,5-dioxocyclohexanecarboxylate
    • ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
    • Trinexapac-ethyl
    • Trinexapac-ethyl Standard
    • Cimectacarb
    • ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate
    • ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate
    • Trinexapac-ethyl [ISO]
    • Q89W563T9J
    • Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester
    • EPA Pesticide Chemical Code 112602
    • 4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-diox
    • CGA 163935
    • Primo Maxx
    • TRINEXAPAC-ETHYL [MI]
    • CGA-163935
    • 95266-40-3
    • CHEMBL3182004
    • Trinexapac-ethyl, PESTANAL(R), analytical standard
    • DS-6168
    • 4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester
    • NCGC00255216-01
    • C18541
    • 3-hydroxy-5-oxo-4-cyclopropanecarbonyl-cyclohex-3-ene-1-carboxylic acid ethyl ester
    • CGA 163935; Cimectacarb; Moddus; Primo; Primo Maxx
    • CAS-95266-40-3
    • CHEBI:81817
    • ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate
    • 4-(Cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester
    • VDA26640
    • SCHEMBL10001994
    • DTXSID9032535
    • AKOS016014448
    • ethyl 4-cyclopropanecarbonyl-3-hydroxy-5-oxocyclohex-3-ene-1-carboxylate
    • MFCD01632318
    • C77286
    • UNII-Q89W563T9J
    • DTXCID7012535
    • Q27155616
    • PALISADE
    • RVKCCVTVZORVGD-QXMHVHEDSA-N
    • SCHEMBL118484
    • NS00001581
    • RVKCCVTVZORVGD-UHFFFAOYSA-N
    • HY-W022973
    • Tox21_301906
    • MDL： MFCD01632318
    • Inchi： 1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-
    • InChI Key： RVKCCVTVZORVGD-QXMHVHEDSA-N
    • SMILES： O=C1CC(C(OCC)=O)CC(=O)/C/1=C(\C1CC1)/O

Computed Properties

  • Exact Mass: 252.10000
  • Monoisotopic Mass: 252.099774
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 411
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.7
  • XLogP3: 0.9

Experimental Properties

  • Color/Form: White powder
  • Density: 1.2380 (rough estimate)
  • Melting Point: 36-39?°C
  • Boiling Point: 467.6°C at 760 mmHg
  • Flash Point: 150.8±21.4 °C
  • Refractive Index: nD30 1.5350
  • Solubility: Chloroform, Methanol
  • PSA: 80.67000
  • LogP: 1.31980
  • pka: 4.7(at 25℃)
  • Vapor Pressure: 0.0±2.1 mmHg at 25°C

Trinexapac-ethyl Security Information

  • Signal Word：Warning
  • Hazard Statement： H302-H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：2
  • Safety Instruction： H303+H313+H333
  • RTECS：GU8473500
  • Toxicity：LD50 in rats (mg/kg): 4460 orally; >4000 dermally (Kerber)
  • Storage Condition：Sealed in dry,Room Temperature

Trinexapac-ethyl Customs Data

  • HS CODE：2918300015
  • Customs Data：

    China Customs Code:

    2918300015

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    S.Import and Export Pesticide Registration Certificate

    Summary:

    2918300015. VAT:17.0%. Tax rebate rate:9.0%. Supervision conditions:S(import or export registration certificate for pesticides). MFN tariff:6.5%. General tariff:30.0%

Trinexapac-ethyl Pricemore >>

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abcr
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Trinexapac-ethyl Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dichloromethane ;  0 °C; 2 - 3 h, 0 °C
1.2 Catalysts: 1,8-Diazabicyclo[5.4.0]undec-7-ene ;  4 - 5 h, 2 atm, 100 °C
1.3 pH 3 - 4
1.4 Catalysts: Sulfuric acid Solvents: Water ;  rt
Reference
Preparation of trinexapac-ethyl
, China, , ,

Production Method 2

Reaction Conditions
1.1 Solvents: Water ;  pH 7
Reference
Acylcyclohexanedione derivatives as potential in vivo sequential inhibitors of 4-hydroxyphenylpyruvate dioxygenase and GA20 3β-hydroxylase
Huang, Jian-Lin; Liu, Hun-Ge; Yang, Ding-Yah, Bioorganic & Medicinal Chemistry Letters, 2003, 13(5), 927-930

Production Method 3

Reaction Conditions
1.1 Reagents: Triethylamine Catalysts: 1-Butanaminium, N,N,N-tributyl-, azide (1:1) Solvents: Chloroform ,  Water ;  25 °C
1.2 Reagents: Hydrochloric acid ;  pH 3
Reference
Method for preparing cyclohexane triketone compounds
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Toluene ;  50 °C; 1 h, 50 °C
1.2 Reagents: N,N-Dimethylaniline Solvents: Methanol ;  0 - 10 °C; 5 h, 0 - 10 °C
1.3 Reagents: Water ;  30 min
Reference
Process for preparation of plant growth regulator Trinexapac intermediate
, China, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: 1,2-Dichloroethane ;  cooled; overnight, rt
1.2 Reagents: 4-(Dimethylamino)pyridine Solvents: 1,2-Dichloroethane ;  5 h, reflux
Reference
Synthesis of Trinexapac-ethyl
Gao, Min; Wang, Xiaozhong; Dai, Liyan; Chen, Yingqi, Nongyao, 2006, 45(8), 535-536

Production Method 6

Reaction Conditions
1.1 Reagents: Cupric acetate Solvents: Ethanol ;  rt → -5 °C; 3 h, -5 °C
Reference
Production method and recovery method for ethyl 4-cyclopropyl (hydroxy) methylene-3,5-diketocyclohexanecarboxylate
, China, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Phosphorus trichloride Solvents: N,N-Dimethylaniline ;  cooled
1.2 Catalysts: 4-(Dimethylamino)pyridine ;  4 h, 60 °C
1.3 Reagents: Water ;  pH 5 - 6
Reference
Process for preparation of trinexapac-ethyl
, China, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Dimethylformamide ,  Triethylamine Catalysts: Sodium azide Solvents: Toluene ;  4 h, 90 °C; 90 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 3 - 4
Reference
Study on synthesis of trinexapac-ethyl
Zhu, Chang-song; Huang, Bin; Liu, Jun-jie; Yang, Jun; Ji, Jian-fei; et al, Jingxi Yu Zhuanyong Huaxuepin, 2011, 19(8), 11-13

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ;  reflux; 2 h, reflux
1.2 2.5 h, reflux
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1 - 2, cooled
Reference
Process for preparation of trinexapac-ethyl
, China, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: 1,2-Dichloroethane ;  cooled; 30 °C; 15 h, 30 °C
1.2 Catalysts: Sodium ethoxide Solvents: 1,2-Dichloroethane ;  5 h, reflux
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Synthesis of Trinexapac-ethyl
Tian, Shuai; Gao, Zhongliang; Xie, Zhendong, Huaxue Shijie, 2018, 59(11), 749-753

Production Method 11

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Toluene ;  0 - 15 °C; 1 - 5 h, 0 - 15 °C
1.2 Reagents: Ethanedinitrile Solvents: Acetone ;  15 °C → 90 °C; 90 - 95 °C; 95 °C → 30 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1 - 2, 15 - 30 °C
Reference
Method for preparing high-content trinexapac-ethyl
, China, , ,

Production Method 12

Reaction Conditions
1.1 Reagents: Triethylamine ,  Potassium cyanide Solvents: Dimethylformamide ,  Toluene ;  rt → 90 °C; 4 h, 80 - 90 °C; 90 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 3 - 4, rt
Reference
Process for preparation of plant growth regulator trinexapac-ethyl
, China, , ,

Production Method 13

Reaction Conditions
Reference
Preparation of cyclohexanedionecarboxylic acid derivatives as herbicides and plant growth regulators
, United States, , ,

Production Method 14

Reaction Conditions
Reference
Preparation of inactivated viral vaccines using furocoumarins and long wavelength UV irradiation, under a non-oxidizing atmosphere
, United States, , ,

Production Method 15

Reaction Conditions
Reference
Cyclohexanedionecarboxylic acid derivatives having a herbicidal and plant growth regulating activity
, European Patent Organization, , ,

Trinexapac-ethyl Raw materials

Trinexapac-ethyl Preparation Products

Trinexapac-ethyl Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:95266-40-3)Trinexapac-ethyl
Order Number:sfd2855
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:95266-40-3)Trinexapac-ethyl
Order Number:A902830
Stock Status:in Stock
Quantity:2.5g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:12
Price ($):221.0/351.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:95266-40-3)Trinexapac-ethyl
Order Number:LE12516
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:07
Price ($):discuss personally

Trinexapac-ethyl Related Literature

95266-40-3 (Trinexapac-ethyl) Related Products

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:95266-40-3)Trinexapac-ethyl
sfd2855
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:95266-40-3)Trinexapac-ethyl
A902830
Purity:99%/99%
Quantity:2.5g/5g
Price ($):221.0/351.0
Email