3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

Base Information

• Chemical Name: 3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
• CAS No.: 1309582-38-4
• Molecular Formula: C₃₂H₄₄BF₂N₃O₄S₄
• Molecular Weight: 711.791
• Mol file: 1309582-38-4.mol

Synonyms:

Chemical Property of 3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

There total 5 articles about 3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-5,5-difluoro-7-methoxy-10-(4-(2-methoxy-2-oxoethoxy)-2,6-dimethylphenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (1309582-37-3) + water (7732-18-5) → 3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (1309582-38-4)

Guidance literature:

With LiOH; In tetrahydrofuran; methanol; (N2); addn. of LiOH to soln. of boron compd. in THF/methanol (1:1), stirring overnight at room temp.; concg., dissolving in water, adjusting pH to 1-2 with aq. HCl, extn. (CHCl3), drying over Na2SO4, filtration, drying in vac., chromy. (silica, 1.5% methanol in CH2Cl2), NMR and MS;

DOI:10.1021/ja2004158

Reference yield:

(Z)-methyl (4-((5-chloro-1H-pyrrol-2-yl)(5-chloro-2H-pyrrol-2-ylidene))-3,5-dimethylphenoxy)acetate (1309460-40-9) → 3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (1309582-38-4)

Guidance literature:

Multi-step reaction with 4 steps

1: CH₃CH₂N(CH(CH₃)2)2 / dichloromethane

2: methanol; tetrahydrofuran

3: acetonitrile

4: LiOH / methanol; tetrahydrofuran

With CH₃CH₂N(CH(CH₃)2)2; LiOH; In tetrahydrofuran; methanol; dichloromethane; acetonitrile;

DOI:10.1021/ja2004158

Reference yield:

3,7-dichloro-5,5-difluoro-10-(4-(2-methoxy-2-oxoethoxy)-2,6-dimethylphenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (1309582-44-2) → 3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-10-(4-(2-carboxmethoxy)-2,6-dimethylphenyl)-5,5-difluoro-7-methoxy-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (1309582-38-4)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol; tetrahydrofuran

2: acetonitrile

3: LiOH / methanol; tetrahydrofuran

With LiOH; In tetrahydrofuran; methanol; acetonitrile;

DOI:10.1021/ja2004158

upstream raw materials:

3-(bis(2-((2-(ethylthio)ethyl)thio)ethyl)amino)-5,5-difluoro-7-methoxy-10-(4-(2-methoxy-2-oxoethoxy)-2,6-dimethylphenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

water

bis(2-((2-(ethylthio)ethyl)thio)ethyl)amine

(Z)-methyl (4-((5-chloro-1H-pyrrol-2-yl)(5-chloro-2H-pyrrol-2-ylidene))-3,5-dimethylphenoxy)acetate

Downstream raw materials:

((C₆H₅)3PCH₂CH₂NHCOCH₂OC₆H₂(CH₃)2C(C₄H₂N(N(CH₂CH₂SCH₂CH₂SCH₂CH₃)2))(C₄H₂NOCH₃))BF₂⁽¹⁺⁾

Refernces