(R)-4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-iuM (2S,3S)-2,3-bis(benzoyloxy)-3-carboxypropanoate

Base Information

Chemical Name:(R)-4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-iuM (2S,3S)-2,3-bis(benzoyloxy)-3-carboxypropanoate
CAS No.:1276666-14-8
Molecular Formula:C31H30ClN3O9
Molecular Weight:624.047
Hs Code.:
Mol file:1276666-14-8.mol

Synonyms:(R)-4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-iuM (2S,3S)-2,3-bis(benzoyloxy)-3-carboxypropanoate;(5R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-5-methyl-1,4-diazepan-1-ium (2S,3S)-2,3-bis(benzoyloxy)butanedioate

Suppliers and Price of (R)-4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-iuM (2S,3S)-2,3-bis(benzoyloxy)-3-carboxypropanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

ChemScene
Butanedioicacid,2,3-bis(benzoyloxy)-,(2S,3S)-,compd.with5-chloro-2-[(5R)-hexahydro-5-methyl-1H-1,4-diazepin-1-yl]benzoxazole1:1
1g
$ 935.00

Total 35 raw suppliers

Chemical Property of (R)-4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-iuM (2S,3S)-2,3-bis(benzoyloxy)-3-carboxypropanoate

Chemical Property:

Melting Point:164.2℃
PSA：168.50000
LogP:4.67000

Purity/Quality:

99.9% ^*data from raw suppliers

Butanedioicacid,2,3-bis(benzoyloxy)-,(2S,3S)-,compd.with5-chloro-2-[(5R)-hexahydro-5-methyl-1H-1,4-diazepin-1-yl]benzoxazole1:1 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of (R)-4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-iuM (2S,3S)-2,3-bis(benzoyloxy)-3-carboxypropanoate

There total 8 articles about (R)-4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-iuM (2S,3S)-2,3-bis(benzoyloxy)-3-carboxypropanoate 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:

: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

: 1276666-13-7
5-chloro-2-(5-methyl-[1,4]diazepan-1-yl)-benzoxazole

: 1276666-16-0
C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈

: 1276666-14-8
C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈

Guidance literature:: O,O'-dibenzoyl-D-tartaric acid; 5-chloro-2-(5-methyl-[1,4]diazepan-1-yl)-benzoxazole; In tetrahydrofuran; at 20 ℃; for 4.91667h; Resolution of racemate;

With Isopropyl acetate; In methanol; at 20 ℃; for 22.25h; optical yield given as %ee; Resolution of racemate;
DOI:10.1021/op1002853

Reference yield:

: 22876-19-3
5-chloro-2-mercaptobenzoxazole

: 1276666-16-0
C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈

: 1276666-14-8
C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈

Guidance literature:: Multi-step reaction with 6 steps

1.1: dichloromethane; N,N-dimethyl-formamide / 1.75 h / 20 - 25 °C

2.1: triethylamine / dichloromethane / 2.5 h / 0 - 20 °C

3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane; water; acetonitrile / 10.08 h / 20 - 40 °C

4.1: tetrahydrofuran / 5 - 60 °C

5.1: sodium acetate; sodium tris(acetoxy)borohydride; acetic acid / dichloromethane / 15 - 20 °C

6.1: tetrahydrofuran / 4.92 h / 20 °C / Resolution of racemate

6.2: 22.25 h / 20 °C / Resolution of racemate

With sodium acetate; sodium tris(acetoxy)borohydride; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 3.1: Aza-Michael reaction;
DOI:10.1021/op1002853

Reference yield:

: 95-85-2
2-hydroxy-5-chloro-aniline

: 1276666-16-0
C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈

: 1276666-14-8
C₁₃H₁₆ClN₃O*C₁₈H₁₄O₈

Guidance literature:: Multi-step reaction with 7 steps

1.1: methanol; water / 2 h / 0 - 20 °C

2.1: dichloromethane; N,N-dimethyl-formamide / 1.75 h / 20 - 25 °C

3.1: triethylamine / dichloromethane / 2.5 h / 0 - 20 °C

4.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane; water; acetonitrile / 10.08 h / 20 - 40 °C

5.1: tetrahydrofuran / 5 - 60 °C

6.1: sodium acetate; sodium tris(acetoxy)borohydride; acetic acid / dichloromethane / 15 - 20 °C

7.1: tetrahydrofuran / 4.92 h / 20 °C / Resolution of racemate

7.2: 22.25 h / 20 °C / Resolution of racemate

With sodium acetate; sodium tris(acetoxy)borohydride; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 4.1: Aza-Michael reaction;
DOI:10.1021/op1002853