(+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate

Base Information

• Chemical Name: (+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate
• CAS No.: 674781-57-8
• Molecular Formula: C₂₃H₃₁BrO₃S
• Molecular Weight: 467.467

Synonyms:(+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate

Chemical Property of (+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate

There total 7 articles about (+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate 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: 99.0%

4-Methoxybenzenethiol (696-63-9) + (-)-methyl [(1aR,1bS,5aS,6aS)-1,1-dibromo-2,2,6a-trimethyloctahydrocyclopropa[a]inden-5a-(1H)-yl]acetate (674781-44-3) → (+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate (674781-57-8)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; sodium hydrogencarbonate; at 20 ℃; for 4h;

DOI:10.1021/ol0363063

Reference yield:

(S)-(+)-(2',2'-dimethyl-6'-methylene-1'-cyclohexyl)methanol (166022-29-3) → (+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate (674781-57-8)

Guidance literature:

Multi-step reaction with 6 steps

1.1: oxalyl chloride; DMSO; Et₃N / CH₂Cl₂ / -78 - 20 °C

2.1: Mg / tetrahydrofuran

2.2: tetrahydrofuran / 0.5 h / 0 °C

2.3: 2.5 g / HMPA / tetrahydrofuran / 0 - 20 °C

3.1: 57 percent / PPh₃; AcOH / Pd(OAc)2 / 760 Torr / Heating

4.1: 92 percent / K₂CO₃ / acetone / 4 h / 20 °C

5.1: 78 percent / aq. NaOH; benzyltriethylammonium chloride; MeOH / CH₂Cl₂ / 8 h / 20 °C

6.1: 99 percent / 1,1,1,3,3,3-hexafluoro-2-propanol; NaHCO₃ / 4 h / 20 °C

With methanol; sodium hydroxide; oxalyl dichloride; 1,1,1,3',3',3'-hexafluoro-propanol; N-benzyl-N,N,N-triethylammonium chloride; sodium hydrogencarbonate; potassium carbonate; magnesium; acetic acid; dimethyl sulfoxide; triethylamine; triphenylphosphine; palladium diacetate; In tetrahydrofuran; dichloromethane; acetone; 1.1: Swern oxidation;

DOI:10.1021/ol0363063

Reference yield:

(S)-(+)-2',2'-dimethyl-6'-methylene-1'-cyclohexylcarboxaldehyde (166022-30-6) → (+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfanyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate (674781-57-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: Mg / tetrahydrofuran

1.2: tetrahydrofuran / 0.5 h / 0 °C

1.3: 2.5 g / HMPA / tetrahydrofuran / 0 - 20 °C

2.1: 57 percent / PPh₃; AcOH / Pd(OAc)2 / 760 Torr / Heating

3.1: 92 percent / K₂CO₃ / acetone / 4 h / 20 °C

4.1: 78 percent / aq. NaOH; benzyltriethylammonium chloride; MeOH / CH₂Cl₂ / 8 h / 20 °C

5.1: 99 percent / 1,1,1,3,3,3-hexafluoro-2-propanol; NaHCO₃ / 4 h / 20 °C

With methanol; sodium hydroxide; 1,1,1,3',3',3'-hexafluoro-propanol; N-benzyl-N,N,N-triethylammonium chloride; sodium hydrogencarbonate; potassium carbonate; magnesium; acetic acid; triphenylphosphine; palladium diacetate; In tetrahydrofuran; dichloromethane; acetone;

DOI:10.1021/ol0363063

upstream raw materials:

4-Methoxybenzenethiol

(-)-methyl [(1aR,1bS,5aS,6aS)-1,1-dibromo-2,2,6a-trimethyloctahydrocyclopropa[a]inden-5a-(1H)-yl]acetate

(S)-(+)-2',2'-dimethyl-6'-methylene-1'-cyclohexylcarboxaldehyde

(S)-(+)-(2',2'-dimethyl-6'-methylene-1'-cyclohexyl)methanol

Downstream raw materials:

(+)-methyl [(4aS,8R,8aS)-7-bromo-1,1,6-trimethyl-8-(4-methoxyphenylsulfonyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate

(+)-phenylselenyl [(4aS,8R,8aS)-7-phenylthio-1,1,6-trimethyl-8-(4-methoxyphenylsulfonyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetate

(+)-[(4aS,8R,8aS)-7-phenylthio-1,1,6-trimethyl-8-(4-methoxyphenylsulfonyl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl]acetic acid

(-)-(1S,6S,9S)-8-phenylthio-5,5,9-trimethyltricyclo[7.2.1.0^1,6]dodec-7-en-10-one

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