N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-L-histidinamide

Base Information

Chemical Name:N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-L-histidinamide
CAS No.:134527-87-0
Molecular Formula:C₄₄H₆₆N₈O₈
Molecular Weight:835.057
Hs Code.:

N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-L-histidinamide

Synonyms:

Suppliers and Price of N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-L-histidinamide

Supply Marketing:

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

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Chemical Property of N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-L-histidinamide

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1130.1°Cat760mmHg
Flash Point:637.3°C
Density:1.183g/cm³

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-L-histidinamide

There total 20 articles about N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-L-histidinamide 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:

: C₅₁H₇₂N₈O₁₀S

: 107600-09-9,134527-87-0,136520-78-0
{(S)-1-[(S)-1-((1S,2R,3R,4R)-2,3-Dihydroxy-1-isobutyl-5-methyl-4-{(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

Guidance literature:: With benzotriazol-1-ol; In methanol; for 14h; Ambient temperature;
DOI:10.1021/jm00389a004

Reference yield:

: 7533-40-6,14438-11-0
(S)-2-amino-4-methylpentan-1-ol

: 107600-09-9,134527-87-0,136520-78-0
{(S)-1-[(S)-1-((1S,2R,3R,4R)-2,3-Dihydroxy-1-isobutyl-5-methyl-4-{(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 17 steps

1: 85 percent / Et₃N / CH₂Cl₂ / 1.17 h / Ambient temperature

2: 1.) oxalyl chloride, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -78 deg C, 15 min, 2.) CH₂Cl₂, 5 min

3: 96 percent / tetrahydrofuran / 0.08 h / -30 °C

4: DOWEX 50W-X₈ resin / methanol / 14 h / Ambient temperature

5: tetrahydrofuran / 14 h / Ambient temperature

6: 100 percent / pyridinium p-toluenesulfonate / CH₂Cl₂ / 4 h / Ambient temperature

7: 1.) Sudan III, O₃, 2.) CH₃COOH, Zn / 1.) CH₂Cl₂, MeOH, -78 deg C, 45 min, 2.) CH₂Cl₂, MeOH, H₂O, -45 deg C, 5 min

8: 1.) dibutylboron triflate, diisopropylethylamine, 3.) 30percent aq. H₂O₂

9: 1.) diisopropylethylamine, dibutylboron triflate, 2.) lithium borohydride, 3.) 30percent aq. H₂O₂

10: 1.) camphorsulfonic acid, 2.) acetone / 1.) CH₂Cl₂, RT, 45 min, 2.) CH₂Cl₂, RT, overnight

11: 91 percent / periodic acid, RuCl₃*3H₂O / acetonitrile; CCl₄; H₂O / 2 h / Ambient temperature

12: Et₃N, diethylphosphoryl cyanide / CH₂Cl₂ / 2 h / Ambient temperature

13: acetyl chloride / methanol / 14 h / Ambient temperature

14: Et₃N, diethylphosphoryl cyanide / CH₂Cl₂ / 14 h

15: trifluoroacetic acid / CH₂Cl₂ / 0.5 h / Ambient temperature

16: Et₃N, diethylphosphoryl cyanide / CH₂Cl₂ / 14 h

17: 1-hydroxybenzotriazole / methanol / 14 h / Ambient temperature

With ruthenium trichloride; lithium borohydride; diethylphosphoryl cyanide; oxalyl dichloride; oil scarlet; Dowex 50W-X₈ resin; di-n-butylboryl trifluoromethanesulfonate; camphor-10-sulfonic acid; dihydrogen peroxide; pyridinium p-toluenesulfonate; benzotriazol-1-ol; ozone; acetic acid; dimethyl sulfoxide; periodic acid; triethylamine; N-ethyl-N,N-diisopropylamine; acetyl chloride; acetone; trifluoroacetic acid; zinc; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; water; acetonitrile;
DOI:10.1021/jm00389a004

Reference yield:

: 100841-17-6
4-methyl-2(S)-<(triphenylmethyl)amino>-1-pentanol

: 107600-09-9,134527-87-0,136520-78-0
{(S)-1-[(S)-1-((1S,2R,3R,4R)-2,3-Dihydroxy-1-isobutyl-5-methyl-4-{(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 16 steps

1: 1.) oxalyl chloride, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -78 deg C, 15 min, 2.) CH₂Cl₂, 5 min

2: 96 percent / tetrahydrofuran / 0.08 h / -30 °C

3: DOWEX 50W-X₈ resin / methanol / 14 h / Ambient temperature

4: tetrahydrofuran / 14 h / Ambient temperature

5: 100 percent / pyridinium p-toluenesulfonate / CH₂Cl₂ / 4 h / Ambient temperature

6: 1.) Sudan III, O₃, 2.) CH₃COOH, Zn / 1.) CH₂Cl₂, MeOH, -78 deg C, 45 min, 2.) CH₂Cl₂, MeOH, H₂O, -45 deg C, 5 min

7: 1.) dibutylboron triflate, diisopropylethylamine, 3.) 30percent aq. H₂O₂

8: 1.) diisopropylethylamine, dibutylboron triflate, 2.) lithium borohydride, 3.) 30percent aq. H₂O₂

9: 1.) camphorsulfonic acid, 2.) acetone / 1.) CH₂Cl₂, RT, 45 min, 2.) CH₂Cl₂, RT, overnight

10: 91 percent / periodic acid, RuCl₃*3H₂O / acetonitrile; CCl₄; H₂O / 2 h / Ambient temperature

11: Et₃N, diethylphosphoryl cyanide / CH₂Cl₂ / 2 h / Ambient temperature

12: acetyl chloride / methanol / 14 h / Ambient temperature

13: Et₃N, diethylphosphoryl cyanide / CH₂Cl₂ / 14 h

14: trifluoroacetic acid / CH₂Cl₂ / 0.5 h / Ambient temperature

15: Et₃N, diethylphosphoryl cyanide / CH₂Cl₂ / 14 h

16: 1-hydroxybenzotriazole / methanol / 14 h / Ambient temperature

With ruthenium trichloride; lithium borohydride; diethylphosphoryl cyanide; oxalyl dichloride; oil scarlet; Dowex 50W-X₈ resin; di-n-butylboryl trifluoromethanesulfonate; camphor-10-sulfonic acid; dihydrogen peroxide; pyridinium p-toluenesulfonate; benzotriazol-1-ol; ozone; acetic acid; dimethyl sulfoxide; periodic acid; triethylamine; N-ethyl-N,N-diisopropylamine; acetyl chloride; acetone; trifluoroacetic acid; zinc; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; water; acetonitrile;
DOI:10.1021/jm00389a004