C₅₁H₅₄Cl₃N₉O₁₂

Base Information

• Chemical Name: C₅₁H₅₄Cl₃N₉O₁₂
• CAS No.: 1004055-04-2
• Molecular Formula: C₅₁H₅₄Cl₃N₉O₁₂
• Molecular Weight: 1091.4
• Mol file: 1004055-04-2.mol

Synonyms:C₅₁H₅₄Cl₃N₉O₁₂

Chemical Property of C₅₁H₅₄Cl₃N₉O₁₂

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₅₁H₅₄Cl₃N₉O₁₂

There total 16 articles about C₅₁H₅₄Cl₃N₉O₁₂ 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:

2-[1-tert-butoxycarbonylamino-5-(2-chlorobenzyloxycarbonylamino)pentyl]-4,5-dihydrooxazole-4-carboxylic acid methyl ester (916138-23-3) → C51H54Cl3N9O12 (1004055-04-2)

Guidance literature:

Multi-step reaction with 8 steps

1: 66 percent / DBU; BrCCl₃ / CH₂Cl₂ / 0 - 20 °C

2: TFA / CH₂Cl₂ / 1 h

3: 1.30 mg / EDC; HOBt; 2,6-lutidine / CH₂Cl₂ / 2 h / 0 °C

4: TFA / CH₂Cl₂ / 1 h

5: EDC; HOBt; 2,6-lutidine / CH₂Cl₂ / 2 h / 0 °C

6: aq. NaOH / methanol / 1 h / 0 °C

7: TFA / CH₂Cl₂ / 1 h

8: 107 mg / DIPEA; FDPP / acetonitrile / 24 h

With 2,6-dimethylpyridine; sodium hydroxide; Bromotrichloromethane; pentafluorophenyl diphenyl-phosphinate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In methanol; dichloromethane; acetonitrile;

DOI:10.1021/ja064713e

Reference yield:

2-[1-tert-butoxycarbonylamino-5-(2-chlorobenzyloxycarbonylamino)pentyl]oxazole-4-carboxylic acid methyl ester (916138-24-4) → C51H54Cl3N9O12 (1004055-04-2)

Guidance literature:

Multi-step reaction with 7 steps

1: TFA / CH₂Cl₂ / 1 h

2: 1.30 mg / EDC; HOBt; 2,6-lutidine / CH₂Cl₂ / 2 h / 0 °C

3: TFA / CH₂Cl₂ / 1 h

4: EDC; HOBt; 2,6-lutidine / CH₂Cl₂ / 2 h / 0 °C

5: aq. NaOH / methanol / 1 h / 0 °C

6: TFA / CH₂Cl₂ / 1 h

7: 107 mg / DIPEA; FDPP / acetonitrile / 24 h

With 2,6-dimethylpyridine; sodium hydroxide; pentafluorophenyl diphenyl-phosphinate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In methanol; dichloromethane; acetonitrile;

DOI:10.1021/ja064713e

Reference yield:

Boc-(S)-Lys(2-Cl-Z)-OH (54613-99-9) → C51H54Cl3N9O12 (1004055-04-2)

Guidance literature:

Multi-step reaction with 10 steps

1.1: 95 percent / triethylamine; DCC / CH₂Cl₂ / 2 h / 0 °C

2.1: DAST / CH₂Cl₂ / 1 h / -78 °C

2.2: 79 percent / K₂CO₃ / CH₂Cl₂ / 1 h / 20 °C

3.1: 66 percent / DBU; BrCCl₃ / CH₂Cl₂ / 0 - 20 °C

4.1: TFA / CH₂Cl₂ / 1 h

5.1: 1.30 mg / EDC; HOBt; 2,6-lutidine / CH₂Cl₂ / 2 h / 0 °C

6.1: TFA / CH₂Cl₂ / 1 h

7.1: EDC; HOBt; 2,6-lutidine / CH₂Cl₂ / 2 h / 0 °C

8.1: aq. NaOH / methanol / 1 h / 0 °C

9.1: TFA / CH₂Cl₂ / 1 h

10.1: 107 mg / DIPEA; FDPP / acetonitrile / 24 h

With 2,6-dimethylpyridine; sodium hydroxide; Bromotrichloromethane; pentafluorophenyl diphenyl-phosphinate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; 4,4'-diaminostilbene-2,2'-disulfonic acid; trifluoroacetic acid; In methanol; dichloromethane; acetonitrile;

DOI:10.1021/ja064713e

upstream raw materials:

2-[1-tert-butoxycarbonylamino-5-(2-chlorobenzyloxycarbonylamino)pentyl]oxazole-4-carboxylic acid methyl ester

2-[1-tert-butoxycarbonylamino-5-(2-chlorobenzyloxycarbonylamino)pentyl]oxazole-4-carboxylic acid methyl ester

2-[1-tert-butoxycarbonylamino-5-(2-chlorobenzyloxycarbonylamino)pentyl]-4,5-dihydrooxazole-4-carboxylic acid methyl ester

2-[1-tert-butoxycarbonylamino-5-(2-chlorobenzyloxycarbonylamino)pentyl]-4,5-dihydrooxazole-4-carboxylic acid methyl ester