tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate

Base Information

Chemical Name:tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
CAS No.:147961-55-5
Molecular Formula:C₁₉H₃₃NO₅
Molecular Weight:355.475
Hs Code.:
DSSTox Substance ID:DTXSID30463568
Wikidata:Q82288505
Mol file:147961-55-5.mol

Synonyms:147961-55-5;tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate;3-(S)-(4-(S)-ISOPROPYL-2-OXO-OXAZOLIDINE-3-CARBONYL)-OCTANOIC ACID TERT-BUTYL ESTER;WUJMQRANTBDPAP-HUUCEWRRSA-N;SCHEMBL8218743;DTXSID30463568;4-(S)-Isopropyl-3-[2-(R)-tert-butoxycarbonylmethyl-1-oxoheptyl)-2-oxazolidinone

Suppliers and Price of tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate

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
Packaging
price

TRC
3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoicAcidtert-ButylEster
500mg
$ 1230.00

Medical Isotopes, Inc.
3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoicAcidtert-ButylEster
250 mg
$ 2120.00

Medical Isotopes, Inc.
3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoicAcidtert-ButylEster
50 mg
$ 890.00

American Custom Chemicals Corporation
3-(S)-(4-(S)-ISOPROPYL-2-OXO-OXAZOLIDINE-3-CARBONYL)-OCTANOIC ACID TERT-BUTYL ESTER 95.00%
5MG
$ 498.19

Total 2 raw suppliers

Chemical Property of tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate

Chemical Property:

Boiling Point:466.1±28.0 °C(Predicted)
PKA:-2.43±0.40(Predicted)
PSA：72.91000
Density:1.057±0.06 g/cm3(Predicted)
LogP:3.85600
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate, Methanol
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:355.23587315
Heavy Atom Count:25
Complexity:481

Purity/Quality:

99% ^*data from raw suppliers

3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(CC(=O)OC(C)(C)C)C(=O)N1C(COC1=O)C(C)C
Isomeric SMILES:CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1[C@H](COC1=O)C(C)C
Uses 3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoic Acid tert-Butyl Ester (cas# 147961-55-5) is a compound useful in organic synthesis.

Technology Process of tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate

There total 1 articles about tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate 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:

: 5292-43-3
bromoacetic acid tert-butyl ester

: 145588-98-3
(4S)-4-isopropyl-3-(1-oxoheptyl)-2-oxazolidinone

: 147961-55-5
(4S)-4-isopropyl-3-<(2R)-2-(tert-butyloxycarbonylmethyl)-1-oxoheptyl>-2-oxazolidinone

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, -78 deg C, 2.) THF, -78 deg C;
DOI:10.1016/S0040-4039(00)61652-0

Reference yield:

: 147961-55-5
(4S)-4-isopropyl-3-<(2R)-2-(tert-butyloxycarbonylmethyl)-1-oxoheptyl>-2-oxazolidinone

: 147983-31-1
tert-butyl (3S)-1-benzyloxycarbonyl-2-<(2R)-1-oxo-2-<(2,2,2-trichloroethoxycarbonyl)methyl>heptyl>hexahydropyridazine-3-carboxylate

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) 1.65M BuLi / 1.) THF, hexane, 0 deg C, 20 min, 2.) THF, hexane, 1 h

2: 838 mg / 4N HCl / dioxane / Ambient temperature

3: oxalyl chloride / benzene / 2 h / 60 °C

4: pyridine / tetrahydrofuran / 1.5 h / -15 °C

5: H₂ / 10percent Pd/C / methanol / 2 h / Ambient temperature

6: oxalyl chloride / benzene / 2 h / 50 °C

7: N-ethylmorpholine / tetrahydrofuran / 1.) -15 deg C to r.t., 2.) r.t., overnight

With N-ethylmorpholine;; pyridine; hydrogenchloride; n-butyllithium; oxalyl dichloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; benzene;
DOI:10.7164/antibiotics.47.1481

Reference yield:

: 147961-55-5
(4S)-4-isopropyl-3-<(2R)-2-(tert-butyloxycarbonylmethyl)-1-oxoheptyl>-2-oxazolidinone

: 147983-33-3
tert-butyl (3S)-1-benzyloxycarbonyl-2-<(2R)-2-benzyloxyaminocarbonylmethyl-1-oxoheptyl>hexahydropyridazine-3-carboxylate

Guidance literature:: Multi-step reaction with 9 steps

1: 1.) 1.65M BuLi / 1.) THF, hexane, 0 deg C, 20 min, 2.) THF, hexane, 1 h

2: 838 mg / 4N HCl / dioxane / Ambient temperature

3: oxalyl chloride / benzene / 2 h / 60 °C

4: pyridine / tetrahydrofuran / 1.5 h / -15 °C

5: H₂ / 10percent Pd/C / methanol / 2 h / Ambient temperature

6: oxalyl chloride / benzene / 2 h / 50 °C

7: N-ethylmorpholine / tetrahydrofuran / 1.) -15 deg C to r.t., 2.) r.t., overnight

8: 96 percent / Zn, 1M NH₄OAc / tetrahydrofuran; H₂O / 2.5 h / Ambient temperature

9: 98 percent / Et₃N, DEPC / tetrahydrofuran; dimethylformamide / 4.5 h / -15 °C

With N-ethylmorpholine;; pyridine; hydrogenchloride; n-butyllithium; oxalyl dichloride; ammonium acetate; hydrogen; triethylamine; diethyl dicarbonate; zinc; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; water; N,N-dimethyl-formamide; benzene;
DOI:10.7164/antibiotics.47.1481