CAS No.147150-35-4,CLORANSULAM-METHYL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	147150-35-4
Name:	CLORANSULAM-METHYL
Article Data:	2

Formula:	C₁₅H₁₃ClFN₅O₅S
Molecular Weight:	429.816
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;
EINECS:	405-090-9
Density:	1.65 g/cm³
Melting Point:	216-218oC
Hazard Symbols:	Xn,N
Risk Codes:	20-50
Safety:	61
PSA:	133.16000
LogP:	3.05670

Synthetic route

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

: 77820-58-7
methyl 3-chloroanthranilate

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

Conditions

Conditions	Yield
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

: 172694-17-6
2-(trimethylsilyl)ethyl N-(tert-butoxycarbonyl)-L-cysteinate

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

: 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

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide for 4h; Ambient temperature;	90%

: 172694-28-9
TMSEO-β-ala-N-t-Boc-(R)-cys-SH

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

: 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

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide for 4.5h; Ambient temperature;	48%

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

: 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

Conditions

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

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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