Product Name

  • Name

    CLORANSULAM-METHYL

  • EINECS 405-090-9
  • CAS No. 147150-35-4
  • Article Data2
  • CAS DataBase
  • Density 1.65 g/cm3
  • Solubility
  • Melting Point 216-218oC
  • Formula C15H13ClFN5O5S
  • Boiling Point
  • Molecular Weight 429.816
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 61
  • Risk Codes 20-50
  • Molecular Structure Molecular Structure of 147150-35-4 (CLORANSULAM-METHYL)
  • Hazard Symbols Xn,N
  • Synonyms [1,2,4]Triazolo[1,5-c]pyrimidine,benzoic acid deriv.;Amplify;Cloransulam methyl ester;Cloransulam-methyl;DE565;FirstRate;Methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[5,1-c]pyrimidin-2-yl)sulfonylamino]benzoate;
  • PSA 133.16000
  • LogP 3.05670

Synthetic route

2-chlorosulfonyl-7-fluoro-5-ethoxy[1,2,4]triazolo[1,5-c]-pyrimidine
147150-77-4

2-chlorosulfonyl-7-fluoro-5-ethoxy[1,2,4]triazolo[1,5-c]-pyrimidine

methyl 3-chloroanthranilate
77820-58-7

methyl 3-chloroanthranilate

N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide
147150-35-4

N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide

Conditions
ConditionsYield
With pyridine; S,S-dimethyl-N-(2-methoxycarbonyl-6-chlorophenyl)sulfilimine In dichloromethane
With pyridine; S,S-dimethyl-N-(2-methoxycarbonyl-6-chlorophenyl)sulfilimine In dichloromethane
2-(trimethylsilyl)ethyl N-(tert-butoxycarbonyl)-L-cysteinate
172694-17-6

2-(trimethylsilyl)ethyl N-(tert-butoxycarbonyl)-L-cysteinate

N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide
147150-35-4

N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide

2-{7-[(R)-2-tert-Butoxycarbonylamino-2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylsulfanyl]-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino}-3-chloro-benzoic acid methyl ester
172694-18-7

2-{7-[(R)-2-tert-Butoxycarbonylamino-2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylsulfanyl]-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino}-3-chloro-benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide for 4h; Ambient temperature;90%
TMSEO-β-ala-N-t-Boc-(R)-cys-SH
172694-28-9

TMSEO-β-ala-N-t-Boc-(R)-cys-SH

N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide
147150-35-4

N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide

2-(7-{(R)-2-tert-Butoxycarbonylamino-2-[2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylcarbamoyl]-ethylsulfanyl}-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino)-3-chloro-benzoic acid methyl ester
172694-29-0

2-(7-{(R)-2-tert-Butoxycarbonylamino-2-[2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylcarbamoyl]-ethylsulfanyl}-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino)-3-chloro-benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide for 4.5h; Ambient temperature;48%
N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide
147150-35-4

N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

3-Chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl)-methyl-amino]-benzoic acid methyl ester

3-Chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl)-methyl-amino]-benzoic acid methyl ester

Conditions
ConditionsYield
With phosphoric acid In hexane; acetone for 0.5h; Ambient temperature;

Cloransulam-methyl Specification

The CAS register number of Cloransulam-methyl is 147150-35-4. It also can be called as Methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[5,1-c]pyrimidin-2-yl)sulfonylamino]benzoate and the IUPAC name about this chemical is methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate. Classification code about this chemical is Herbicide.

Physical properties about Cloransulam-methyl are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 10.75; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 75.46; (8)ACD/KOC (pH 7.4): 20.35; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 124.37Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 97.68 cm3; (15)Molar Volume: 259.1 cm3; (16)Polarizability: 38.72x10-24cm3; (17)Surface Tension: 60 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cccc(Cl)c1NS(=O)(=O)c2nc3cc(F)nc(OCC)n3n2
(2)InChI: InChI=1/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
(3)InChIKey: BIKACRYIQSLICJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
(5)Std. InChIKey: BIKACRYIQSLICJ-UHFFFAOYSA-N

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